data_2mbq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mbq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.407 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.1 mm-40 -95.89 142.38 28.21 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.466 0.65 . . . . 0.0 110.22 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.48 165.44 31.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.295 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.43 139.95 53.41 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.692 0.282 . . . . 0.0 111.262 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.88 123.7 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -100.0 142.33 31.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.918 0.39 . . . . 0.0 110.441 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.82 166.0 10.9 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 122.062 0.934 . . . . 0.0 111.108 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.95 -19.58 65.23 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.181 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.8 p -93.36 -0.04 56.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 13.91 52.14 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.186 -0.531 . . . . 0.0 113.73 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -90.29 144.9 25.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -117.93 127.9 54.29 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.55 139.0 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -105.06 132.1 51.72 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.1 mt -127.37 150.36 49.64 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.559 0.218 . . . . 0.0 110.456 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.5 tt0 -100.98 122.21 43.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.07 167.98 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.622 0.725 . . . . 0.0 111.858 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.48 150.93 48.92 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.24 -24.25 66.4 Favored 'Trans proline' 0 C--N 1.317 -1.09 0 CA-C-N 120.911 1.361 . . . . 0.0 112.651 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 p -85.26 -1.7 57.23 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.4 143.25 51.92 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.495 ' HG1' ' CG ' ' A' ' 25' ' ' ASN . 72.3 p -86.34 157.22 19.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.205 -1.361 . . . . 0.0 109.954 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.93 -39.8 84.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -38.42 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' CG ' ' HG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.96 -43.76 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -59.99 -39.93 87.42 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.82 87.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.347 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.3 mt -65.03 -39.96 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.03 -44.2 94.8 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.8 t0 -60.3 -40.64 91.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.725 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.72 -40.26 23.0 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.72 -14.91 13.95 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.09 82.59 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.105 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.43 116.98 67.91 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -58.76 134.78 62.76 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.357 1.163 . . . . 0.0 112.123 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.39 -31.31 22.84 Favored 'Trans proline' 0 N--CA 1.506 2.209 0 C-N-CA 122.568 2.178 . . . . 0.0 114.488 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.07 -16.24 62.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.606 0.639 . . . . 0.0 112.099 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -100.01 1.81 42.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.97 139.45 42.58 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.15 123.9 39.3 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.207 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -105.73 130.14 53.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.394 0.616 . . . . 0.0 110.857 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.2 138.0 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.526 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.25 127.04 22.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.938 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.0 39.17 18.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.06 0.06 89.17 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.297 -0.724 . . . . 0.0 114.826 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -112.28 139.29 47.95 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.804 1.302 . . . . 0.0 111.727 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.34 129.01 34.04 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.91 136.51 32.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 111.582 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.17 149.92 21.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.271 0.558 . . . . 0.0 111.987 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.82 -20.12 64.3 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.03 3.52 70.26 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.017 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.17 165.96 11.34 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.693 0.747 . . . . 0.0 111.278 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 p -107.5 167.35 10.0 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.492 0.663 . . . . 0.0 111.973 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.95 -42.96 95.2 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.959 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.3 p -61.9 -30.25 70.75 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 119.715 -0.794 . . . . 0.0 111.894 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.13 -29.04 70.06 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -99.95 13.85 32.5 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.621 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 50.03 40.08 20.51 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.648 0.379 . . . . 0.0 112.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.07 121.54 34.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.48 169.21 8.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.317 0.58 . . . . 0.0 112.002 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.19 141.27 14.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.643 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.67 23.4 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.878 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -76.82 148.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.0 m -112.86 124.02 51.64 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mp -105.17 157.34 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -112.22 134.16 53.92 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.2 132.64 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 HG22 ' B' ' 9' ' ' THR . 2.6 t -120.71 144.87 28.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -109.82 140.0 44.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.639 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.96 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 36.7 ttt180 . . . . . 0 N--CA 1.465 0.31 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.06 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.407 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.2 mm-40 -95.83 142.37 28.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.473 0.654 . . . . 0.0 110.3 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.53 165.43 31.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.32 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.37 139.97 53.4 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.659 0.266 . . . . 0.0 111.273 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.91 123.71 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.05 142.36 31.62 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.861 0.362 . . . . 0.0 110.42 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.85 165.99 10.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 122.042 0.925 . . . . 0.0 111.058 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.87 -19.66 65.23 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.564 -1.653 . . . . 0.0 111.233 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.412 HG22 HG12 ' A' ' 70' ' ' VAL . 43.8 p -93.38 -0.02 56.71 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.58 13.84 52.29 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.688 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -90.19 144.98 25.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.709 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.5 m -118.01 127.87 54.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.57 138.98 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -105.06 131.98 51.87 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.5 mt -127.25 150.26 49.63 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.525 0.202 . . . . 0.0 110.647 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.407 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.5 tt0 -100.92 122.24 43.14 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.04 168.07 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.64 0.734 . . . . 0.0 111.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.51 150.82 48.77 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -58.09 -24.31 65.46 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 CA-C-N 120.939 1.371 . . . . 0.0 112.719 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -85.25 -1.74 57.28 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -70.48 143.32 51.76 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.489 ' HG1' ' CG ' ' B' ' 25' ' ' ASN . 73.1 p -86.32 157.23 19.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.177 -1.374 . . . . 0.0 109.876 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.03 -39.71 84.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.22 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -38.37 82.47 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.489 ' CG ' ' HG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.13 -40.09 90.37 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.9 -43.65 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.11 -39.93 87.89 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.83 87.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.74 -39.05 90.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.97 -40.01 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.03 -44.16 94.83 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.394 0.616 . . . . 0.0 109.346 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 53.7 t0 -60.34 -40.52 90.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.78 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.73 -40.32 22.91 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.96 ' OE1' ' NE ' ' A' ' 72' ' ' ARG . 78.3 mm-40 -110.69 -14.98 13.95 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -174.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.41 11.11 82.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.178 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 mt -86.39 117.05 68.05 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -58.92 134.89 63.1 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.412 1.183 . . . . 0.0 112.108 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.35 -31.45 23.0 Favored 'Trans proline' 0 N--CA 1.504 2.145 0 C-N-CA 122.636 2.224 . . . . 0.0 114.417 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.01 -16.29 62.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 118.645 0.657 . . . . 0.0 112.081 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -99.99 1.79 42.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -108.01 139.48 42.58 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.21 123.92 39.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.151 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.66 130.1 53.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.324 0.583 . . . . 0.0 110.863 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.19 138.05 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.532 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.31 127.09 22.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.852 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 39.11 18.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.452 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.03 0.14 89.23 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.304 -0.72 . . . . 0.0 114.845 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.28 139.3 47.95 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.747 1.274 . . . . 0.0 111.714 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.35 128.92 33.94 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.93 136.49 32.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 111.532 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.19 149.9 21.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.189 0.518 . . . . 0.0 112.03 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.79 -20.1 64.32 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.12 -0.946 . . . . 0.0 113.491 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.99 3.44 70.31 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.054 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.16 165.92 11.37 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.657 0.729 . . . . 0.0 111.29 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -107.55 167.36 10.0 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.573 0.702 . . . . 0.0 111.961 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.95 -42.88 95.02 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.026 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 84.2 p -61.84 -30.41 70.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.9 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.03 -29.05 70.02 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.487 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -99.86 13.81 32.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.695 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.08 39.99 20.51 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.06 121.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.43 169.09 8.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.294 0.568 . . . . 0.0 112.073 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.1 141.19 14.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.624 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.76 23.43 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.83 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.8 m -76.86 148.75 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.4 m -112.95 124.08 51.81 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mp -105.19 157.4 17.3 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.23 133.99 54.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.11 132.68 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.7 144.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -109.87 140.03 44.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.548 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.033 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.43 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.1 mm-40 -95.89 142.38 28.21 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.466 0.65 . . . . 0.0 110.22 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.48 165.44 31.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.295 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.43 139.95 53.41 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.692 0.282 . . . . 0.0 111.262 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.88 123.7 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -100.0 142.33 31.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.918 0.39 . . . . 0.0 110.441 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.82 166.0 10.9 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 122.062 0.934 . . . . 0.0 111.108 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.95 -19.58 65.23 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.181 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.8 p -93.36 -0.04 56.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 13.91 52.14 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.186 -0.531 . . . . 0.0 113.73 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -90.29 144.9 25.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -117.93 127.9 54.29 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.55 139.0 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -105.06 132.1 51.72 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.1 mt -127.37 150.36 49.64 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.559 0.218 . . . . 0.0 110.456 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.5 tt0 -100.98 122.21 43.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.07 167.98 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.622 0.725 . . . . 0.0 111.858 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.48 150.93 48.92 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.24 -24.25 66.4 Favored 'Trans proline' 0 C--N 1.317 -1.09 0 CA-C-N 120.911 1.361 . . . . 0.0 112.651 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 p -85.26 -1.7 57.23 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.4 143.25 51.92 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.406 ' OG1' ' OD1' ' A' ' 25' ' ' ASN . 72.3 p -86.34 157.22 19.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.205 -1.361 . . . . 0.0 109.954 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.93 -39.8 84.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -38.42 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.406 ' OD1' ' OG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.96 -43.76 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -59.99 -39.93 87.42 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.82 87.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.347 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.3 mt -65.03 -39.96 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.03 -44.2 94.8 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.8 t0 -60.3 -40.64 91.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.725 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.72 -40.26 23.0 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.72 -14.91 13.95 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.09 82.59 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.105 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.43 116.98 67.91 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -58.76 134.78 62.76 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.357 1.163 . . . . 0.0 112.123 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.39 -31.31 22.84 Favored 'Trans proline' 0 N--CA 1.506 2.209 0 C-N-CA 122.568 2.178 . . . . 0.0 114.488 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.07 -16.24 62.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.606 0.639 . . . . 0.0 112.099 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -100.01 1.81 42.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.97 139.45 42.58 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.15 123.9 39.3 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.207 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -105.73 130.14 53.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.394 0.616 . . . . 0.0 110.857 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.2 138.0 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.526 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.25 127.04 22.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.938 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.0 39.17 18.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.06 0.06 89.17 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.297 -0.724 . . . . 0.0 114.826 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -112.28 139.29 47.95 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.804 1.302 . . . . 0.0 111.727 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.34 129.01 34.04 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.91 136.51 32.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 111.582 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.17 149.92 21.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.271 0.558 . . . . 0.0 111.987 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.82 -20.12 64.3 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.03 3.52 70.26 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.017 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.17 165.96 11.34 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.693 0.747 . . . . 0.0 111.278 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 p -107.5 167.35 10.0 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.492 0.663 . . . . 0.0 111.973 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.95 -42.96 95.2 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.959 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.3 p -61.9 -30.25 70.75 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 119.715 -0.794 . . . . 0.0 111.894 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.13 -29.04 70.06 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -99.95 13.85 32.5 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.621 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 50.03 40.08 20.51 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.648 0.379 . . . . 0.0 112.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.07 121.54 34.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.48 169.21 8.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.317 0.58 . . . . 0.0 112.002 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.19 141.27 14.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.643 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.67 23.4 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.878 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -76.82 148.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.0 m -112.86 124.02 51.64 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.0 mp -105.17 157.34 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -112.22 134.16 53.92 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.2 132.64 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.593 HG13 HG21 ' B' ' 9' ' ' THR . 2.6 t -120.71 144.87 28.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -109.82 140.0 44.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.639 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.96 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 36.7 ttt180 . . . . . 0 N--CA 1.465 0.31 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.06 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.43 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.2 mm-40 -95.83 142.37 28.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.473 0.654 . . . . 0.0 110.3 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.53 165.43 31.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.32 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.37 139.97 53.4 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.659 0.266 . . . . 0.0 111.273 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.91 123.71 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.05 142.36 31.62 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.861 0.362 . . . . 0.0 110.42 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.85 165.99 10.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 122.042 0.925 . . . . 0.0 111.058 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.87 -19.66 65.23 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.564 -1.653 . . . . 0.0 111.233 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.593 HG21 HG13 ' A' ' 70' ' ' VAL . 43.8 p -93.38 -0.02 56.71 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.58 13.84 52.29 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.688 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -90.19 144.98 25.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.709 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.5 m -118.01 127.87 54.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.57 138.98 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -105.06 131.98 51.87 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.5 mt -127.25 150.26 49.63 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.525 0.202 . . . . 0.0 110.647 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.5 tt0 -100.92 122.24 43.14 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.04 168.07 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.64 0.734 . . . . 0.0 111.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.51 150.82 48.77 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -58.09 -24.31 65.46 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 CA-C-N 120.939 1.371 . . . . 0.0 112.719 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -85.25 -1.74 57.28 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -70.48 143.32 51.76 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.406 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 73.1 p -86.32 157.23 19.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.177 -1.374 . . . . 0.0 109.876 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.03 -39.71 84.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.22 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -38.37 82.47 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.406 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.13 -40.09 90.37 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.9 -43.65 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.11 -39.93 87.89 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.83 87.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.74 -39.05 90.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.97 -40.01 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.03 -44.16 94.83 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.394 0.616 . . . . 0.0 109.346 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' B' ' 32' ' ' ASP . 53.7 t0 -60.34 -40.52 90.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.78 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.73 -40.32 22.91 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.96 ' OE1' ' NE ' ' A' ' 72' ' ' ARG . 78.3 mm-40 -110.69 -14.98 13.95 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -174.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.41 11.11 82.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.178 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 mt -86.39 117.05 68.05 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -58.92 134.89 63.1 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.412 1.183 . . . . 0.0 112.108 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.35 -31.45 23.0 Favored 'Trans proline' 0 N--CA 1.504 2.145 0 C-N-CA 122.636 2.224 . . . . 0.0 114.417 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.01 -16.29 62.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 118.645 0.657 . . . . 0.0 112.081 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -99.99 1.79 42.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -108.01 139.48 42.58 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.21 123.92 39.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.151 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.66 130.1 53.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.324 0.583 . . . . 0.0 110.863 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.19 138.05 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.532 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.31 127.09 22.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.852 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 39.11 18.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.452 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.03 0.14 89.23 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.304 -0.72 . . . . 0.0 114.845 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.28 139.3 47.95 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.747 1.274 . . . . 0.0 111.714 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.35 128.92 33.94 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.93 136.49 32.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 111.532 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.19 149.9 21.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.189 0.518 . . . . 0.0 112.03 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.79 -20.1 64.32 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.12 -0.946 . . . . 0.0 113.491 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.99 3.44 70.31 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.054 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.16 165.92 11.37 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.657 0.729 . . . . 0.0 111.29 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -107.55 167.36 10.0 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.573 0.702 . . . . 0.0 111.961 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.95 -42.88 95.02 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.026 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 84.2 p -61.84 -30.41 70.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.9 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.03 -29.05 70.02 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.487 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -99.86 13.81 32.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.695 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.08 39.99 20.51 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.06 121.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.43 169.09 8.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.294 0.568 . . . . 0.0 112.073 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.1 141.19 14.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.624 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.76 23.43 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.83 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.8 m -76.86 148.75 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.4 m -112.95 124.08 51.81 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.413 HD12 ' N ' ' B' ' 67' ' ' LEU . 4.0 mp -105.19 157.4 17.3 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.23 133.99 54.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.11 132.68 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.7 144.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -109.87 140.03 44.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.548 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.033 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.43 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.1 mm-40 -95.89 142.38 28.21 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.466 0.65 . . . . 0.0 110.22 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.48 165.44 31.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.295 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.43 139.95 53.41 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.692 0.282 . . . . 0.0 111.262 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.88 123.7 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -100.0 142.33 31.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.918 0.39 . . . . 0.0 110.441 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.82 166.0 10.9 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 122.062 0.934 . . . . 0.0 111.108 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.95 -19.58 65.23 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.181 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.8 p -93.36 -0.04 56.74 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 13.91 52.14 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.186 -0.531 . . . . 0.0 113.73 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -90.29 144.9 25.41 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.3 m -117.93 127.9 54.29 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.55 139.0 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -105.06 132.1 51.72 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.1 mt -127.37 150.36 49.64 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.559 0.218 . . . . 0.0 110.456 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.5 tt0 -100.98 122.21 43.13 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 176.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.07 167.98 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.622 0.725 . . . . 0.0 111.858 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.48 150.93 48.92 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.24 -24.25 66.4 Favored 'Trans proline' 0 C--N 1.317 -1.09 0 CA-C-N 120.911 1.361 . . . . 0.0 112.651 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 p -85.26 -1.7 57.23 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.4 143.25 51.92 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.406 ' OG1' ' OD1' ' A' ' 25' ' ' ASN . 72.3 p -86.34 157.22 19.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.205 -1.361 . . . . 0.0 109.954 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.93 -39.8 84.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.291 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.93 -38.42 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.406 ' OD1' ' OG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.1 -40.06 90.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.96 -43.76 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -59.99 -39.93 87.42 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.82 87.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.347 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.74 -39.0 90.66 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.3 mt -65.03 -39.96 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.03 -44.2 94.8 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.8 t0 -60.3 -40.64 91.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.725 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.72 -40.26 23.0 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.72 -14.91 13.95 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.09 82.59 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.105 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.43 116.98 67.91 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -58.76 134.78 62.76 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.357 1.163 . . . . 0.0 112.123 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.39 -31.31 22.84 Favored 'Trans proline' 0 N--CA 1.506 2.209 0 C-N-CA 122.568 2.178 . . . . 0.0 114.488 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.07 -16.24 62.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.606 0.639 . . . . 0.0 112.099 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -100.01 1.81 42.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.97 139.45 42.58 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.15 123.9 39.3 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.207 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.8 mt -105.73 130.14 53.79 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.394 0.616 . . . . 0.0 110.857 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.2 138.0 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.526 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.25 127.04 22.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.938 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.0 39.17 18.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.437 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.06 0.06 89.17 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.297 -0.724 . . . . 0.0 114.826 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -112.28 139.29 47.95 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.804 1.302 . . . . 0.0 111.727 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.34 129.01 34.04 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.91 136.51 32.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 111.582 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.17 149.92 21.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.271 0.558 . . . . 0.0 111.987 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.82 -20.12 64.3 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.03 3.52 70.26 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.017 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.17 165.96 11.34 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.693 0.747 . . . . 0.0 111.278 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 p -107.5 167.35 10.0 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.492 0.663 . . . . 0.0 111.973 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.95 -42.96 95.2 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.959 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.3 p -61.9 -30.25 70.75 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 119.715 -0.794 . . . . 0.0 111.894 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.13 -29.04 70.06 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.461 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -99.95 13.85 32.5 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.621 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 50.03 40.08 20.51 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 122.648 0.379 . . . . 0.0 112.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -81.07 121.54 34.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.48 169.21 8.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.317 0.58 . . . . 0.0 112.002 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.19 141.27 14.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.643 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.67 23.4 10.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.878 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -76.82 148.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.0 m -112.86 124.02 51.64 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.0 mp -105.17 157.34 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -112.22 134.16 53.92 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.2 132.64 52.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.593 HG13 HG21 ' B' ' 9' ' ' THR . 2.6 t -120.71 144.87 28.24 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -109.82 140.0 44.24 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.639 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.96 ' NE ' ' OE1' ' B' ' 34' ' ' GLU . 36.7 ttt180 . . . . . 0 N--CA 1.465 0.31 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.06 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.43 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.2 mm-40 -95.83 142.37 28.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.473 0.654 . . . . 0.0 110.3 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.53 165.43 31.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.32 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.37 139.97 53.4 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.659 0.266 . . . . 0.0 111.273 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.91 123.71 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.05 142.36 31.62 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.861 0.362 . . . . 0.0 110.42 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.85 165.99 10.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 122.042 0.925 . . . . 0.0 111.058 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.87 -19.66 65.23 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.564 -1.653 . . . . 0.0 111.233 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.593 HG21 HG13 ' A' ' 70' ' ' VAL . 43.8 p -93.38 -0.02 56.71 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.58 13.84 52.29 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.688 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -90.19 144.98 25.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.709 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.5 m -118.01 127.87 54.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.57 138.98 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -105.06 131.98 51.87 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.5 mt -127.25 150.26 49.63 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.525 0.202 . . . . 0.0 110.647 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.5 tt0 -100.92 122.24 43.14 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.04 168.07 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.64 0.734 . . . . 0.0 111.85 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -118.51 150.82 48.77 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -58.09 -24.31 65.46 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 CA-C-N 120.939 1.371 . . . . 0.0 112.719 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -85.25 -1.74 57.28 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -70.48 143.32 51.76 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.406 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 73.1 p -86.32 157.23 19.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.177 -1.374 . . . . 0.0 109.876 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -62.03 -39.71 84.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.22 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -38.37 82.47 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.406 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.13 -40.09 90.37 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.9 -43.65 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.11 -39.93 87.89 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.83 87.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.341 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.74 -39.05 90.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.97 -40.01 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.03 -44.16 94.83 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.394 0.616 . . . . 0.0 109.346 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 53.7 t0 -60.34 -40.52 90.97 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.78 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.73 -40.32 22.91 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.96 ' OE1' ' NE ' ' A' ' 72' ' ' ARG . 78.3 mm-40 -110.69 -14.98 13.95 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -174.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.41 11.11 82.57 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.178 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 mt -86.39 117.05 68.05 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -58.92 134.89 63.1 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.412 1.183 . . . . 0.0 112.108 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.35 -31.45 23.0 Favored 'Trans proline' 0 N--CA 1.504 2.145 0 C-N-CA 122.636 2.224 . . . . 0.0 114.417 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -71.01 -16.29 62.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 118.645 0.657 . . . . 0.0 112.081 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -99.99 1.79 42.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -108.01 139.48 42.58 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.21 123.92 39.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.151 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.66 130.1 53.75 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.324 0.583 . . . . 0.0 110.863 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.19 138.05 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.532 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.31 127.09 22.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.852 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 39.11 18.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.452 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.03 0.14 89.23 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.304 -0.72 . . . . 0.0 114.845 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.28 139.3 47.95 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.747 1.274 . . . . 0.0 111.714 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.35 128.92 33.94 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.93 136.49 32.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 111.532 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.19 149.9 21.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.189 0.518 . . . . 0.0 112.03 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.79 -20.1 64.32 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.12 -0.946 . . . . 0.0 113.491 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.99 3.44 70.31 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.054 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.16 165.92 11.37 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 117.657 0.729 . . . . 0.0 111.29 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -107.55 167.36 10.0 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.573 0.702 . . . . 0.0 111.961 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.95 -42.88 95.02 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.026 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 84.2 p -61.84 -30.41 70.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.9 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.03 -29.05 70.02 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.487 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -99.86 13.81 32.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.695 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.08 39.99 20.51 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.06 121.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.43 169.09 8.79 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.294 0.568 . . . . 0.0 112.073 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -51.1 141.19 14.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.624 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.76 23.43 10.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.83 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 36.8 m -76.86 148.75 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.4 m -112.95 124.08 51.81 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.413 ' N ' HD12 ' B' ' 67' ' ' LEU . 4.0 mp -105.19 157.4 17.3 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.23 133.99 54.03 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.4 tp -106.11 132.68 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.7 144.79 28.46 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -109.87 140.03 44.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.548 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.033 -179.95 . . . . . . . . 0 0 . 1 stop_ save_