data_2pru_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 2pru _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.78 -49.98 70.81 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-O 121.506 0.67 . . . . 0.0 110.626 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.11 -27.81 22.88 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -54.96 -53.27 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.139 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -65.04 -26.5 68.29 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.356 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -52.02 45.78 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.362 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -64.86 -42.25 95.01 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.57 -42.82 92.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.698 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.33 85.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.588 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.72 -43.98 69.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.184 0.516 . . . . 0.0 111.155 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 -45.73 24.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.026 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 23.8 t70 -70.93 -31.79 68.5 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.14 -34.32 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -63.7 -42.63 97.94 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.8 t60 -55.09 -38.8 68.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.068 1.347 . . . . 0.0 111.607 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -66.38 150.73 48.45 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 m -76.6 22.76 0.17 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' HA3' ' HG ' ' A' ' 27' ' ' LEU . . . -124.88 4.74 8.47 Favored Glycine 0 C--N 1.305 -1.156 0 C-N-CA 119.645 -1.264 . . . . 0.0 111.275 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 5.4 ppt_? -59.18 -21.53 59.58 Favored 'General case' 0 C--O 1.209 -1.057 0 C-N-CA 124.219 1.008 . . . . 0.0 113.059 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.72 -45.6 0.88 Allowed 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.28 -30.08 76.82 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.564 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 23.7 t70 -83.77 -94.82 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.041 0.92 . . . . 0.0 112.535 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -117.04 15.64 15.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t60 73.64 12.16 4.59 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -166.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 52.9 mtmt -152.25 173.82 14.54 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HG ' ' HA3' ' A' ' 19' ' ' GLY . 6.8 mp -116.9 147.04 42.55 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 118.835 0.743 . . . . 0.0 110.94 -171.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -59.57 154.4 17.59 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 99.2 mttt -65.28 -20.66 66.51 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.117 0.484 . . . . 0.0 111.82 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.3 m -61.48 -29.68 70.13 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 123.53 0.732 . . . . 0.0 110.411 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.37 -29.95 25.83 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.752 0.787 . . . . 0.0 109.217 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.89 -30.2 70.72 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.38 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 30' ' ' SER . 6.2 ttmt -51.63 -54.81 23.84 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.25 1.42 . . . . 0.0 110.725 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.39 -36.33 83.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.241 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 12.2 tp -61.14 -53.11 61.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.947 177.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.0 pt -67.91 -25.93 33.52 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -35.07 66.43 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 174.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -112.46 -67.5 0.99 Allowed 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.275 0.56 . . . . 0.0 112.061 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.276 58.2 mm-40 -87.82 74.13 9.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 123.245 1.498 . . . . 0.0 113.678 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HG ' HG21 ' A' ' 77' ' ' VAL . 4.1 tt -128.0 -60.81 1.13 Allowed 'General case' 0 C--N 1.269 -2.913 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 171.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -169.96 47.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.715 1.606 . . . . 0.0 107.553 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 m80 73.5 -71.81 0.13 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.638 1.175 . . . . 0.0 112.217 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.52 -79.83 0.47 Allowed 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.374 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 73.2 mt 63.28 90.95 0.08 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.501 1.12 . . . . 0.0 109.966 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -133.59 5.77 3.72 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.77 1.67 4.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -168.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.624 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 3.1 mp -100.36 -72.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 118.384 -1.326 . . . . 0.0 110.274 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 1.7 tmmm? -153.22 -29.04 0.14 Allowed 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.439 0.638 . . . . 0.0 109.577 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.624 ' OE1' ' HB ' ' A' ' 47' ' ' ILE . 2.9 pm0 -55.55 -27.36 48.56 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.191 1.797 . . . . 0.0 112.647 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -28.05 13.66 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.671 0.788 . . . . 0.0 112.92 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.54 -53.72 6.6 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.96 -37.47 79.87 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.271 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' A' ' 57' ' ' MET . 73.1 t -56.47 -40.81 70.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 123.393 0.433 . . . . 0.0 110.572 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.52 -46.37 69.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.455 0.645 . . . . 0.0 109.784 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -62.96 -36.43 83.45 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.301 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.0 t -63.52 -47.16 92.8 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.578 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.131 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.0 mmt -58.76 -33.33 70.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.153 0.433 . . . . 0.0 112.144 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.77 -59.93 2.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.939 0.399 . . . . 0.0 110.396 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 p -61.65 -41.73 97.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.418 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.9 tp -53.42 -51.03 63.92 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 125.247 1.419 . . . . 0.0 109.84 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.34 -40.64 73.97 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.14 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -76.99 -48.26 18.47 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.597 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -82.58 -33.52 28.03 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 123.175 0.59 . . . . 0.0 112.508 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.63 49.48 4.19 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.961 -0.638 . . . . 0.0 114.649 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.44 -25.61 31.06 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.597 0.713 . . . . 0.0 109.76 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.53 -63.99 1.4 Allowed Glycine 0 N--CA 1.432 -1.577 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.461 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -172.09 178.12 3.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.555 0.342 . . . . 0.0 110.663 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.1 t -131.72 120.78 23.2 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.05 168.1 11.62 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -66.15 -24.6 66.69 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.379 0.609 . . . . 0.0 109.608 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.62 -37.99 88.14 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.045 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -83.53 -27.06 29.6 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.752 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' O ' HG11 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -54.54 -53.42 54.68 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 172.266 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.457 ' HE3' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -60.84 -46.92 88.65 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.201 174.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.33 -56.19 16.49 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.54 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 71.7 m-85 -62.69 -46.05 89.92 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.588 HG11 ' O ' ' A' ' 73' ' ' PHE . 7.6 p -70.03 -30.78 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.798 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.457 ' HB2' ' HE3' ' A' ' 74' ' ' MET . . . -79.3 -39.86 31.84 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.515 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.446 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 27.5 ptm -68.68 -36.97 79.21 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 HD11 ' A' ' 40' ' ' LEU . 27.8 m -65.35 -31.97 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.513 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -78.67 -23.67 45.55 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.057 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -116.12 -88.16 0.59 Allowed 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.981 -0.449 . . . . 0.0 112.138 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.78 76.61 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.489 1.516 . . . . 0.0 113.857 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -169.36 -57.27 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -155.4 -70.91 0.12 Allowed 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -166.278 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.53 -50.34 65.59 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.413 0.625 . . . . 0.0 110.787 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -28.72 24.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -55.06 -53.6 53.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.933 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -67.95 -20.61 65.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.585 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -52.04 18.52 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.183 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.408 ' HG3' HG22 ' A' ' 77' ' ' VAL . 17.3 tmm? -64.36 -43.32 94.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.88 -43.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.727 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.29 87.08 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.654 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.9 mt -53.23 -43.56 67.39 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.174 0.511 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.65 -45.33 23.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.899 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 21.3 t70 -67.21 -35.46 79.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.09 -34.6 64.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -63.84 -42.52 97.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 6.2 t60 -55.0 -39.34 68.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.764 1.225 . . . . 0.0 111.356 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 -40.49 97.77 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -66.56 149.77 49.98 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -74.32 11.56 0.94 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -170.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.91 3.28 27.26 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 119.716 -1.23 . . . . 0.0 111.613 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' B' ' 20' ' ' ARG . 6.1 ppt_? -58.16 -19.21 31.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.293 1.037 . . . . 0.0 113.411 -176.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -133.08 -50.15 0.87 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.083 0.468 . . . . 0.0 109.826 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.36 -35.89 89.63 Favored Glycine 0 C--N 1.314 -0.663 0 N-CA-C 115.717 1.047 . . . . 0.0 115.717 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.561 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 19.6 t70 -78.03 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.849 0.825 . . . . 0.0 112.476 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -125.86 22.28 7.45 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 t60 68.04 13.5 9.13 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 51.0 mtmt -153.87 173.21 16.23 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -117.42 147.2 42.9 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 118.843 0.747 . . . . 0.0 110.476 -171.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -60.99 158.39 13.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 99.4 mttt -67.71 -22.87 65.24 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -177.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 2.3 p -62.55 -26.68 68.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.611 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.08 -30.47 25.99 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.772 0.796 . . . . 0.0 109.316 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.557 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.33 -29.29 70.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.58 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' B' ' 30' ' ' SER . 7.8 ttmt -51.49 -55.38 19.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.235 1.414 . . . . 0.0 110.734 175.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.17 -32.95 74.89 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.769 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' B' ' 73' ' ' PHE . 14.2 tp -65.64 -50.54 64.6 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.611 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.557 HG12 ' O ' ' B' ' 32' ' ' LEU . 9.2 pt -69.11 -24.82 28.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -39.65 64.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.417 173.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -113.41 -65.37 1.19 Allowed 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.403 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.272 60.0 mm-40 -88.55 74.6 8.47 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 123.128 1.442 . . . . 0.0 113.511 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.475 HD11 HG22 ' B' ' 80' ' ' VAL . 4.0 tt -129.72 -59.44 1.07 Allowed 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 103.318 -2.845 . . . . 0.0 103.318 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -171.22 47.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.663 1.585 . . . . 0.0 107.877 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.21 -73.42 0.1 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.396 1.078 . . . . 0.0 112.611 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.36 -78.0 0.52 Allowed 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.434 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.429 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 68.3 mt 61.18 95.22 0.04 OUTLIER 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.445 1.09 . . . . 0.0 110.463 -172.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -140.94 5.75 1.96 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.695 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -129.07 -6.72 4.91 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.549 ' HB ' ' OE1' ' B' ' 49' ' ' GLU . 3.1 mp -96.59 -77.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.934 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.515 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 1.7 tmmm? -148.53 -27.94 0.31 Allowed 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.883 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.549 ' OE1' ' HB ' ' B' ' 47' ' ' ILE . 3.3 pm0 -55.45 -24.3 30.09 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 125.56 1.544 . . . . 0.0 112.068 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -27.69 17.68 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.571 0.749 . . . . 0.0 112.751 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.13 -53.83 6.05 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.2 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.147 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' B' ' 57' ' ' MET . 74.1 t -56.08 -42.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 O-C-N 123.348 0.405 . . . . 0.0 110.272 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.3 -44.22 84.07 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.397 0.617 . . . . 0.0 110.853 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.91 -36.23 81.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.134 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.567 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.7 t -61.95 -47.14 94.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.561 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.21 172.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -58.32 -33.6 69.68 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.79 -58.5 4.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.111 0.481 . . . . 0.0 111.269 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 p -63.87 -39.79 95.03 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.044 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.5 tp -53.22 -53.2 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 125.248 1.419 . . . . 0.0 110.028 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.72 -41.87 74.74 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.692 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -74.81 -49.69 19.84 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.83 -36.36 42.64 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.13 40.42 2.53 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -77.79 -23.93 49.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.711 0.767 . . . . 0.0 109.638 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.93 -62.29 1.85 Allowed Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -176.67 175.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.473 0.709 . . . . 0.0 110.264 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 44.5 t -130.49 123.41 29.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.35 167.72 11.01 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.537 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -64.3 -25.87 68.23 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.13 -38.76 92.21 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.258 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.97 -25.88 27.49 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.272 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.596 ' O ' HG11 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -54.87 -53.05 60.38 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.472 ' HE3' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -60.94 -47.02 88.36 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.158 174.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.39 -55.78 19.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.633 0.583 . . . . 0.0 112.47 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.453 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 71.5 m-85 -62.79 -45.63 91.75 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.596 HG11 ' O ' ' B' ' 73' ' ' PHE . 7.4 p -70.5 -30.25 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.9 0.381 . . . . 0.0 111.736 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.472 ' HB2' ' HE3' ' B' ' 74' ' ' MET . . . -79.83 -39.58 30.4 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.724 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.453 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 27.8 ptm -70.14 -36.66 74.9 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.475 HG22 HD11 ' B' ' 40' ' ' LEU . 28.1 m -65.36 -31.02 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.461 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.4 m -79.0 -25.66 43.33 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.051 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.8 p -113.89 -87.94 0.56 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.913 -0.492 . . . . 0.0 112.009 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.54 76.43 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.545 1.538 . . . . 0.0 113.665 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.4 p -167.52 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -148.95 -71.64 0.2 Allowed 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 123.615 0.766 . . . . 0.0 112.629 175.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.461 ' HB3' ' CD ' ' B' ' 39' ' ' GLU . 24.7 m . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.31 -47.14 83.5 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.112 0.565 . . . . 0.0 111.177 -174.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.693 ' HG ' ' CZ ' ' B' ' 73' ' ' PHE . 2.8 tm? -70.61 -36.19 73.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 1' ' ' SER . 3.3 tm-20 -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.679 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.53 -52.35 63.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.561 0.696 . . . . 0.0 109.624 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 10' ' ' LEU . . . -59.85 -50.35 74.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.275 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.38 -45.71 80.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.793 0.437 . . . . 0.0 111.891 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -31.46 52.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.71 93.44 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 6' ' ' ALA . 6.6 mp -57.11 -49.07 77.03 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.043 0.449 . . . . 0.0 111.592 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 pt -73.06 -36.82 51.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.62 -37.76 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.76 -29.05 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.992 0.901 . . . . 0.0 108.753 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -85.42 9.25 16.17 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.855 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 24.3 t60 -114.0 -46.03 3.03 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -56.54 -50.21 72.53 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.677 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -78.73 125.99 30.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 111.153 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 65.23 41.33 4.48 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-N 114.249 -1.341 . . . . 0.0 107.79 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.86 75.04 0.32 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 113.795 -1.548 . . . . 0.0 113.204 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 6.7 ppt_? -162.3 -34.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 126.399 1.88 . . . . 0.0 106.523 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 34.4 tt0 -105.71 -44.78 4.57 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 15' ' ' HIS . . . -74.33 -4.9 70.45 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.14 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -114.59 36.06 3.97 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -160.64 -56.55 0.05 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.629 -0.67 . . . . 0.0 112.259 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -144.96 21.83 1.59 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 109.568 -173.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.3 mmpt? 66.68 173.97 0.25 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.61 -171.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD12 ' OE2' ' A' ' 21' ' ' GLU . 52.9 tp -111.58 149.0 32.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -171.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -73.59 156.57 37.94 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.214 179.385 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 20.9 ptmt -65.19 -24.33 67.34 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.622 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.414 ' OG ' ' HA2' ' A' ' 64' ' ' GLY . 10.4 m -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.178 0.513 . . . . 0.0 110.268 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.51 -19.61 30.92 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.388 0.613 . . . . 0.0 109.869 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 32' ' ' LEU . 3.3 tm? -62.12 -23.6 66.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.329 1.052 . . . . 0.0 108.736 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HD2' ' HG3' ' A' ' 34' ' ' GLU . 1.5 tmmt? -50.38 -50.14 52.37 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.559 1.144 . . . . 0.0 111.122 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.5 mt-10 -70.15 -29.15 65.99 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.539 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -70.87 -42.75 69.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -67.83 -32.3 55.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.355 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 91.5 m-20 -58.13 -31.65 67.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.867 0.365 . . . . 0.0 111.684 174.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -92.74 -39.23 11.37 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 44.3 mm-40 -96.5 -26.14 15.4 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD23 HG21 ' A' ' 77' ' ' VAL . 1.9 tm? -111.44 -53.71 2.68 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.39 0.614 . . . . 0.0 110.233 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 14.8 m -78.02 165.09 24.45 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 73.04 0.86 3.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.718 1.207 . . . . 0.0 110.259 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 -58.46 0.95 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.38 90.65 6.34 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.19 -19.77 12.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -131.69 82.84 2.05 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.403 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mt -138.44 -84.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.184 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.11 25.04 0.42 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 -176.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.64 -11.52 21.97 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.478 -1.237 . . . . 0.0 113.705 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -55.83 -39.84 71.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.86 -50.41 9.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.069 0.937 . . . . 0.0 109.873 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.22 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.367 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.57 ' O ' ' HG2' ' A' ' 57' ' ' MET . 65.8 t -55.63 -41.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 123.155 0.285 . . . . 0.0 111.171 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.87 -43.16 89.16 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.73 0.776 . . . . 0.0 110.269 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.3 -43.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 124.077 0.951 . . . . 0.0 111.152 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.1 mmt -64.32 -32.9 74.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.063 0.458 . . . . 0.0 110.079 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.57 -56.16 8.09 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.75 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -58.81 -41.98 88.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.48 -41.32 80.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.57 -38.37 62.69 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.6 -57.93 4.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.101 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.42 -60.92 2.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' HA2' ' OG ' ' A' ' 30' ' ' SER . . . 74.47 -68.47 1.8 Allowed Glycine 0 C--O 1.251 1.213 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.642 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 67.34 -59.69 0.39 Allowed 'General case' 0 C--O 1.238 0.468 0 C-N-CA 127.003 2.121 . . . . 0.0 113.898 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.29 -33.5 2.36 Favored Glycine 0 C--N 1.285 -2.269 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.0 pt-20 -149.67 156.28 41.62 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 72' ' ' GLU . 13.0 t -102.66 127.95 49.55 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.29 161.56 28.0 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.428 0.633 . . . . 0.0 109.332 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -70.8 -29.27 65.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.953 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.613 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 8.3 mm-40 -64.14 -52.75 57.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.427 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.666 ' CZ ' ' HG ' ' B' ' 3' ' ' LEU . 0.9 OUTLIER -58.88 -45.57 89.89 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 1.6 tpt -54.13 -51.11 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.796 0.685 . . . . 0.0 110.849 176.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -49.53 75.09 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.554 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -62.11 -49.52 75.56 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.62 HG11 ' O ' ' A' ' 73' ' ' PHE . 6.6 p -68.53 -35.92 72.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.054 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.08 63.52 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.861 -0.525 . . . . 0.0 111.428 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.273 22.9 ptt? -79.17 -23.12 44.13 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 118.655 -1.218 . . . . 0.0 112.593 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.03 -41.98 23.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.125 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.1 m -73.84 -32.97 63.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.381 0.61 . . . . 0.0 111.66 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -122.08 -58.15 1.74 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.739 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 73.31 143.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.556 1.142 . . . . 0.0 112.781 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.4 m 49.13 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.164 1.386 . . . . 0.0 112.871 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -152.95 52.09 0.75 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 CA--C 1.553 1.083 0 CA-C-O 121.798 0.808 . . . . 0.0 110.983 -178.52 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 37.7 mt-10 . . . . . 0 C--O 1.271 2.207 0 O-C-N 124.767 1.292 . . . . 0.0 108.261 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.424 ' HB3' ' CD ' ' A' ' 39' ' ' GLU . 26.3 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.62 -48.14 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.331 0.586 . . . . 0.0 110.237 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.666 ' HG ' ' CZ ' ' A' ' 73' ' ' PHE . 2.8 tm? -69.03 -31.97 71.15 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.608 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.07 -40.86 95.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.343 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.74 -47.74 71.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.554 0.693 . . . . 0.0 109.803 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.467 ' O ' HD13 ' B' ' 10' ' ' LEU . . . -64.06 -51.66 63.03 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.214 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.06 -47.14 78.48 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.902 0.481 . . . . 0.0 111.951 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.81 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.958 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.42 91.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.416 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' B' ' 6' ' ' ALA . 6.5 mp -57.37 -48.2 79.66 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.2 pt -73.77 -35.99 45.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.48 -38.43 55.33 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.21 -29.95 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 122.024 0.916 . . . . 0.0 108.611 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' B' ' 68' ' ' CYS . 40.9 t80 -85.26 9.46 15.17 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.953 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' B' ' 22' ' ' GLY . 22.5 t60 -114.32 -45.21 3.05 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 173.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -56.49 -52.02 66.3 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.226 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -76.3 129.23 36.34 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.846 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.4 m 61.08 42.11 12.89 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 124.403 1.064 . . . . 0.0 108.863 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.68 69.23 0.57 Allowed Glycine 0 C--N 1.341 0.84 0 CA-C-N 113.796 -1.547 . . . . 0.0 113.336 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -156.81 -33.8 0.08 Allowed 'General case' 0 C--N 1.282 -2.342 0 C-N-CA 126.078 1.751 . . . . 0.0 107.249 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 34.9 tt0 -105.2 -44.86 4.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 172.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' B' ' 15' ' ' HIS . . . -73.12 -6.76 69.54 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.054 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.438 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 20.7 t70 -107.95 19.91 19.42 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.686 1.194 . . . . 0.0 108.491 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -147.19 -54.0 0.22 Allowed 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.623 -0.673 . . . . 0.0 112.188 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -145.04 24.13 1.48 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.468 0.651 . . . . 0.0 109.266 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' B' ' 21' ' ' GLU . 6.5 mmpt? 65.4 175.9 0.21 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.309 -171.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.431 HD12 ' OE2' ' B' ' 21' ' ' GLU . 50.2 tp -112.53 149.02 33.27 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -172.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.405 ' HD2' ' OE2' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -72.57 157.0 38.41 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 120.084 -0.647 . . . . 0.0 112.012 178.701 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' B' ' 32' ' ' LEU . 21.3 ptmt -67.27 -24.32 65.77 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.825 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.513 ' OG ' ' HA2' ' B' ' 64' ' ' GLY . 7.5 m -67.61 -31.22 71.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.186 0.517 . . . . 0.0 110.229 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.2 -22.35 28.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.395 0.617 . . . . 0.0 109.712 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.427 ' O ' HD12 ' B' ' 32' ' ' LEU . 3.3 tm? -59.51 -23.44 62.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.347 1.059 . . . . 0.0 108.955 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.475 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 1.5 tmmt? -49.98 -48.01 52.54 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.908 1.283 . . . . 0.0 111.025 174.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.475 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 48.8 mt-10 -74.81 -24.96 58.72 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.888 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -74.82 -42.85 57.26 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.421 HG12 ' O ' ' B' ' 32' ' ' LEU . 4.4 pt -67.21 -30.93 50.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.397 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -57.94 -33.54 68.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -94.73 -31.83 13.61 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 46.9 mm-40 -100.89 -23.25 14.6 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.406 HD23 HG21 ' B' ' 77' ' ' VAL . 1.8 tm? -115.12 -55.31 2.48 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -77.77 164.88 24.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 75.12 -0.15 3.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.99 1.316 . . . . 0.0 110.092 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.39 -61.31 0.92 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.584 0.754 . . . . 0.0 108.973 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.57 86.07 5.49 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -106.77 -20.97 13.18 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -129.72 88.39 2.67 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.243 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mt -140.15 -87.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.897 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.17 23.41 0.74 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.51 -11.38 25.56 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.481 -1.236 . . . . 0.0 114.179 -171.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.07 -41.42 75.1 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -173.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.41 -45.45 16.06 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.135 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.509 -171.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' B' ' 57' ' ' MET . 85.6 t -56.18 -40.88 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.86 -44.11 94.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.609 0.242 . . . . 0.0 111.002 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -64.13 -34.96 79.25 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.792 0.806 . . . . 0.0 109.687 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 t -67.77 -42.9 86.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.978 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -68.33 -26.02 65.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.68 0.752 . . . . 0.0 109.974 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.99 -59.05 2.94 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.877 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -59.14 -42.4 90.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.59 -41.52 77.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.94 -35.0 57.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.42 -55.49 8.92 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.199 -0.909 . . . . 0.0 113.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.89 -63.65 1.1 Allowed 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.513 ' HA2' ' OG ' ' B' ' 30' ' ' SER . . . 75.35 -65.02 2.42 Favored Glycine 0 C--O 1.248 1.004 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.751 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.92 -59.48 0.24 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 127.237 2.215 . . . . 0.0 114.638 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.38 -36.71 1.92 Allowed Glycine 0 C--N 1.285 -2.288 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -147.79 155.36 41.59 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' B' ' 72' ' ' GLU . 17.3 t -100.99 130.9 47.05 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.76 160.33 26.24 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -63.79 -29.62 70.8 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.445 0.641 . . . . 0.0 109.596 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -69.14 -30.28 68.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.044 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.621 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 13.9 mm-40 -64.59 -52.79 55.73 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.693 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -58.42 -46.72 85.91 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' B' ' 74' ' ' MET . 1.8 tpt -53.78 -50.26 66.48 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.763 0.664 . . . . 0.0 110.727 176.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.5 75.04 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.98 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -62.79 -49.08 76.37 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.636 HG11 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -68.55 -35.64 71.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.93 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.38 -37.92 63.31 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.538 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . 0.271 24.0 ptt? -77.09 -22.81 52.2 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 118.812 -1.155 . . . . 0.0 112.652 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -78.5 -40.94 24.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.059 173.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.3 m -74.83 -33.28 62.14 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.277 0.561 . . . . 0.0 111.746 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.9 m -122.03 -60.35 1.58 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.699 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 74.15 141.38 0.06 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.549 1.139 . . . . 0.0 112.667 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.85 -93.73 0.03 OUTLIER 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.194 1.398 . . . . 0.0 112.618 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -155.76 49.0 0.52 Allowed 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 CA--C 1.563 1.477 0 CA-C-O 121.861 0.839 . . . . 0.0 110.558 -178.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 4' ' ' GLU . 1.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -87.16 -44.49 11.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.944 0.402 . . . . 0.0 110.028 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.38 80.52 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CB ' ' HB2' ' A' ' 1' ' ' SER . 35.3 tt0 -55.46 -52.91 62.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.28 -40.74 82.72 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 123.624 0.577 . . . . 0.0 110.75 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.79 84.42 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -66.14 -48.9 69.28 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.846 0.355 . . . . 0.0 110.371 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.58 -34.01 67.49 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.658 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.55 96.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.765 0.257 . . . . 0.0 110.505 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.73 -42.2 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.296 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 pt -86.04 -25.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 38.2 t70 -80.91 -33.82 33.9 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.653 -0.654 . . . . 0.0 111.866 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.53 -34.54 70.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 172.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.64 -41.28 92.8 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.658 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 43.1 t60 -57.7 -46.97 83.64 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.756 1.222 . . . . 0.0 110.439 173.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 96.8 mt-30 -63.01 -40.65 98.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.912 0.485 . . . . 0.0 111.22 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.92 3.29 8.5 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.909 0.385 . . . . 0.0 111.746 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m 62.81 22.84 13.63 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 124.616 1.166 . . . . 0.0 113.328 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.75 55.52 4.89 Favored Glycine 0 C--O 1.202 -1.874 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.56 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.6 -59.67 1.99 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.64 93.62 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.968 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -93.64 171.14 9.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HZ1' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -78.67 71.47 5.14 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.376 0.608 . . . . 0.0 110.654 -171.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 73.08 -17.68 0.4 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.108 1.763 . . . . 0.0 112.003 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD2' ' HB3' ' A' ' 69' ' ' ASP . 22.8 mtmt -152.26 162.43 41.15 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -95.75 142.23 28.28 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -59.45 136.33 57.94 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HE3' ' OD1' ' A' ' 63' ' ' ASP . 66.0 mttm -56.31 -36.24 68.46 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.665 -177.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.58 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 38.3 m -58.79 -30.71 67.79 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.58 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.61 -16.82 38.01 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -61.07 -22.46 64.63 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.76 -42.97 72.32 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.973 171.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.53 -44.2 97.49 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 122.077 0.941 . . . . 0.0 109.371 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 1.3 tm? -60.44 -57.07 14.31 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 113.515 -1.675 . . . . 0.0 109.469 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG21 ' CD1' ' A' ' 40' ' ' LEU . 12.3 pt -61.9 -34.68 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -64.44 -51.5 62.8 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.611 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -109.55 -71.13 0.77 Allowed 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -90.05 69.05 7.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.54 1.162 . . . . 0.0 110.984 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' A' ' 36' ' ' ILE . 10.1 tt -139.14 -74.93 0.37 Allowed 'General case' 0 C--N 1.281 -2.381 0 CA-C-N 113.224 -1.807 . . . . 0.0 106.499 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 m 178.18 170.64 0.74 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -125.1 26.85 6.84 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-O 121.862 0.839 . . . . 0.0 109.275 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 75.98 131.8 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.972 -1.922 . . . . 0.0 113.565 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -116.49 -80.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -170.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.96 -43.6 5.73 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.286 0.565 . . . . 0.0 110.136 -174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.17 117.57 24.2 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 mm -115.91 85.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 121.926 0.869 . . . . 0.0 109.14 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -119.32 12.18 12.44 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.452 1.12 . . . . 0.0 109.952 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -44.17 87.08 Favored 'General case' 0 C--N 1.265 -3.065 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.48 -42.62 61.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -82.82 -48.51 10.7 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.282 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -72.25 -29.35 31.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.497 ' O ' ' HG2' ' A' ' 57' ' ' MET . 91.9 t -68.85 -31.17 49.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.617 0.722 . . . . 0.0 109.69 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.0 -41.34 62.02 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -65.23 -37.08 86.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' A' ' 76' ' ' PHE . 10.5 p -64.24 -33.64 63.88 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.084 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.4 mmt -65.62 -37.84 87.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.048 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -69.26 -61.37 1.82 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.069 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -55.51 -40.05 71.28 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 tp -54.85 -40.99 70.23 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.72 0.637 . . . . 0.0 111.843 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.46 -38.77 11.25 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.527 0.679 . . . . 0.0 111.313 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -64.48 -26.0 68.24 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.029 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.548 ' OD1' ' HE3' ' A' ' 29' ' ' LYS . 17.2 t70 -52.9 -41.11 64.08 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.19 0.519 . . . . 0.0 110.566 176.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.53 -33.25 4.65 Favored Glycine 0 C--N 1.319 -0.379 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -52.35 -54.56 30.14 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.313 0.557 . . . . 0.0 112.501 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.99 -36.34 4.06 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.863 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -111.5 144.99 39.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 117.89 0.845 . . . . 0.0 111.165 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.561 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 8.9 t -126.42 143.25 51.25 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.699 0.799 . . . . 0.0 108.874 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.461 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.3 p30 -138.24 -179.97 6.1 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.387 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -44.0 -34.88 1.86 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.402 1.881 . . . . 0.0 114.304 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -63.45 -45.2 91.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.373 0.606 . . . . 0.0 110.68 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.561 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 51.7 mt-10 -74.9 -31.97 61.7 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.543 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.54 ' O ' HG13 ' A' ' 77' ' ' VAL . 5.5 m-85 -55.94 -49.13 74.38 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -52.37 59.53 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.169 0.918 . . . . 0.0 110.565 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.44 -51.47 69.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.404 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' A' ' 56' ' ' VAL . 52.0 m-85 -63.64 -49.15 74.39 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.346 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 73' ' ' PHE . 13.6 p -64.36 -36.93 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.31 72.46 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.52 ' HA ' ' HA ' ' A' ' 83' ' ' ALA 0.262 24.5 ptt? -79.41 -33.32 42.73 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 117.645 -1.622 . . . . 0.0 113.327 -178.454 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.55 -39.28 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.39 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 m -85.73 -65.58 1.0 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.553 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -87.61 -35.09 18.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.229 -170.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 79' ' ' MET . . . 65.89 25.76 11.14 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.019 1.327 . . . . 0.0 111.035 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.2 m 72.28 -37.47 0.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.817 1.647 . . . . 0.0 114.477 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -97.65 50.15 1.04 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.811 -0.556 . . . . 0.0 112.17 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.275 8.0 mm-40 . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 41.2 t-80 . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 4.4 mm-40 . . . . . 0 C--O 1.256 1.412 0 C-N-CA 129.996 3.319 . . . . 0.0 103.793 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.495 ' HB2' ' CB ' ' B' ' 4' ' ' GLU . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.86 -45.79 18.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.039 0.447 . . . . 0.0 109.96 -171.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -35.99 81.37 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.495 ' CB ' ' HB2' ' B' ' 1' ' ' SER . 33.4 tt0 -54.57 -53.0 60.33 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 126.042 1.737 . . . . 0.0 111.157 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -59.76 -42.1 92.49 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 123.779 0.674 . . . . 0.0 110.677 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.13 84.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -66.01 -47.16 75.39 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.891 0.376 . . . . 0.0 110.197 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.75 -36.19 76.63 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.801 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.5 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.99 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.005 0.366 . . . . 0.0 110.795 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.22 -42.75 95.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.323 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.63 -25.54 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 30.2 t70 -76.96 -37.42 55.28 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 122.082 -0.386 . . . . 0.0 111.413 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -65.08 -42.37 94.18 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.421 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 29.8 t60 -57.55 -46.73 83.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.834 1.254 . . . . 0.0 110.656 173.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 96.7 mt-30 -64.22 -39.48 94.06 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.902 0.481 . . . . 0.0 111.304 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.09 3.3 8.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.147 0.498 . . . . 0.0 111.628 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.3 m 61.92 25.79 15.53 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.971 1.308 . . . . 0.0 112.965 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.12 52.94 4.7 Favored Glycine 0 C--O 1.205 -1.685 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.45 -35.84 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -107.07 -58.32 1.96 Allowed 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.32 -51.99 52.6 Favored Glycine 0 CA--C 1.501 -0.826 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.688 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.84 173.77 9.19 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 72.21 8.01 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.207 0.527 . . . . 0.0 110.557 -171.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 72.59 -16.88 0.42 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.891 1.676 . . . . 0.0 111.9 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' HB3' ' B' ' 69' ' ' ASP . 26.2 mtmt -154.03 161.54 41.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 -177.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.1 142.52 27.46 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 118.308 0.504 . . . . 0.0 109.815 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -58.65 137.27 57.64 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.356 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.478 ' HE3' ' OD1' ' B' ' 63' ' ' ASP . 63.3 mttm -58.43 -36.46 73.68 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.692 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.618 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 20.6 m -59.18 -29.57 67.56 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.578 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -85.4 -17.02 37.89 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.412 ' O ' HD13 ' B' ' 32' ' ' LEU . 3.3 tm? -61.01 -22.83 64.91 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.618 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.69 -41.31 70.1 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.956 171.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.751 0.786 . . . . 0.0 110.096 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.483 ' HG ' ' CE2' ' B' ' 73' ' ' PHE . 1.4 tm? -59.91 -55.61 32.02 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.362 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.02 -35.53 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.88 -37.5 73.02 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -115.03 -76.3 0.58 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -85.56 67.0 9.95 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 122.509 1.147 . . . . 0.0 111.733 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tt -136.26 -70.97 0.46 Allowed 'General case' 0 C--N 1.279 -2.491 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 173.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.2 t 169.66 177.84 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -128.41 28.72 5.42 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.715 0.769 . . . . 0.0 110.077 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 75.2 125.79 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.269 168.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.84 -84.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.07 -43.14 7.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.828 0.823 . . . . 0.0 110.436 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.57 111.72 18.82 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.28 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.491 0.662 . . . . 0.0 109.246 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -120.01 5.93 10.85 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.209 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -43.78 88.34 Favored 'General case' 0 C--N 1.273 -2.756 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -49.99 -44.77 51.12 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.47 -46.71 12.17 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.058 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.98 -31.31 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' B' ' 57' ' ' MET . 98.6 t -67.4 -30.46 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 122.046 0.927 . . . . 0.0 109.323 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.43 -44.02 63.01 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.875 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -66.92 -33.87 76.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.435 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' B' ' 76' ' ' PHE . 11.2 p -64.98 -35.11 74.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -65.7 -30.61 71.31 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.296 0.57 . . . . 0.0 110.25 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.16 -61.29 2.05 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.01 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 p -54.72 -39.54 68.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 tp -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.281 0.562 . . . . 0.0 112.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -98.6 -32.75 11.27 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.449 0.643 . . . . 0.0 111.24 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.72 -26.15 62.36 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.915 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 17.4 t70 -53.23 -45.8 68.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.176 0.512 . . . . 0.0 109.858 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.55 -27.43 12.22 Favored Glycine 0 C--O 1.238 0.348 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.21 -49.26 69.83 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 117.504 0.652 . . . . 0.0 112.261 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.37 -32.51 6.94 Favored Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.651 -0.785 . . . . 0.0 114.213 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -116.76 139.72 50.25 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 118.037 0.919 . . . . 0.0 111.378 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.502 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 8.9 t -120.86 145.24 47.83 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 2.9 p30 -139.87 179.09 6.8 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -44.62 -34.28 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.061 1.744 . . . . 0.0 114.884 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -63.74 -44.34 93.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.419 0.628 . . . . 0.0 109.922 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.502 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 46.7 mt-10 -75.58 -32.68 60.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.583 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.555 ' O ' HG13 ' B' ' 77' ' ' VAL . 5.7 m-85 -55.55 -48.31 74.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -52.51 62.34 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.254 0.971 . . . . 0.0 110.55 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.99 -52.19 66.55 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.211 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' B' ' 56' ' ' VAL . 53.9 m-85 -63.38 -50.15 71.04 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.496 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.555 HG13 ' O ' ' B' ' 73' ' ' PHE . 14.1 p -63.62 -37.42 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.667 0.27 . . . . 0.0 111.467 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.35 71.88 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.264 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.508 ' HA ' ' HA ' ' B' ' 83' ' ' ALA . 26.0 ptt? -79.65 -32.9 41.63 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 117.799 -1.56 . . . . 0.0 113.119 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 76' ' ' PHE . 29.2 m -67.58 -39.52 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.329 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 10.0 m -85.84 -66.15 0.93 Allowed 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.462 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -88.68 -31.54 18.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.388 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' B' ' 79' ' ' MET . . . 63.27 27.62 15.51 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.642 1.177 . . . . 0.0 111.058 -175.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m 69.06 -27.66 0.15 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.635 1.574 . . . . 0.0 115.218 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -101.82 27.71 6.26 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.269 14.8 mm-40 . . . . . 0 C--N 1.313 -0.997 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.241 0.655 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -74.33 -51.68 14.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -170.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.78 -34.92 76.38 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 29.3 tt0 -52.6 -56.11 17.67 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.613 1.565 . . . . 0.0 111.933 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -24.25 67.62 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.37 -42.89 71.19 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.527 ' SD ' HG22 ' B' ' 77' ' ' VAL . 51.4 ttp -63.14 -41.51 99.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.028 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 4' ' ' GLU . 89.6 t -59.37 -44.81 93.32 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.997 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.127 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 92.4 mt -59.19 -44.0 92.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.665 0.269 . . . . 0.0 111.247 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -80.22 -32.15 13.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 16.5 t70 -72.43 -31.11 65.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.628 0.727 . . . . 0.0 110.75 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.03 -39.41 79.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.82 -49.35 78.05 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.057 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 10.1 t60 -44.7 -45.46 9.81 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.77 2.028 . . . . 0.0 112.365 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.73 -47.16 76.26 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.498 ' OH ' ' HG2' ' A' ' 24' ' ' LYS 0.315 1.8 p90 36.69 -128.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.034 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 m -157.79 -60.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.754 0.422 . . . . 0.0 110.847 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.47 116.5 4.28 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.175 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -21.47 66.35 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -101.76 -56.4 2.29 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.676 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.05 -54.03 8.59 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.751 -0.659 . . . . 0.0 114.217 -174.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -78.56 -17.73 55.69 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.352 0.596 . . . . 0.0 111.071 -173.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 5.1 tmtm? -71.83 -41.76 67.8 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.6 -56.15 15.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.758 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 48.4 mtmt -145.31 153.5 41.33 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.13 -41.18 74.28 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.642 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER 73.93 134.24 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.81 1.244 . . . . 0.0 111.697 -173.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB3' ' HG ' ' A' ' 60' ' ' LEU . 13.9 mptt -62.73 -36.97 84.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 3.9 m -59.41 -35.01 73.18 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.871 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -85.58 -22.21 28.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.639 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.21 -29.94 70.74 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.6 tmmt? -55.78 -46.23 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 173.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -76.11 -30.7 58.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.14 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -51.45 69.92 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 32' ' ' LEU . 18.2 pt -68.25 -40.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -51.14 -37.3 45.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.79 -46.43 4.7 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.786 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -93.14 -15.61 25.81 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -173.003 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.663 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 3.7 tt -79.74 -65.07 1.05 Allowed 'General case' 0 C--O 1.204 -1.321 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -165.06 146.88 7.82 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -103.22 -58.34 1.89 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.537 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.51 52.38 1.53 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.891 0.853 . . . . 0.0 113.123 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.39 30.06 7.4 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.464 ' HA ' ' CD ' ' A' ' 49' ' ' GLU . 34.0 mt-10 -85.72 25.99 1.02 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.158 -174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.03 8.31 17.05 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.784 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.3 mt -104.84 -85.01 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -167.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -154.58 17.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 0.0 109.24 -173.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -95.05 -12.95 25.66 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -171.251 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.41 -39.52 70.32 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.83 -42.99 17.17 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.868 0.842 . . . . 0.0 111.221 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 2.4 t -75.74 -25.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.534 -169.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 56' ' ' VAL . 71.6 t -65.93 -39.87 85.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.565 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.78 -35.68 79.11 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.508 -0.877 . . . . 0.0 109.38 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -67.41 -37.41 83.01 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.152 177.492 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.71 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 9.0 p -67.75 -36.3 75.49 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.146 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -69.13 -37.63 78.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.364 0.602 . . . . 0.0 109.998 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.47 -54.09 28.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.993 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 p -62.4 -39.84 94.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.498 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.71 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 9.9 tp -46.56 -49.31 18.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.149 1.379 . . . . 0.0 109.924 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.18 -45.41 13.94 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.753 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -76.52 -34.18 58.59 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.69 -55.21 28.88 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.62 -139.32 5.42 Favored Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 117.284 -2.389 . . . . 0.0 116.091 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.87 157.57 7.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 113.099 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -95.44 46.87 1.95 Allowed Glycine 0 N--CA 1.408 -3.231 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.352 -172.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 11.0 pt-20 -112.13 152.03 28.77 Favored 'General case' 0 C--N 1.27 -2.878 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.8 m -130.35 118.55 21.42 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.116 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HD1' ' A' ' 73' ' ' PHE . 34.1 t70 -98.21 160.13 14.49 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.215 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' B' ' 78' ' ' ALA . 42.1 p90 -57.03 -31.46 65.17 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.112 0.565 . . . . 0.0 111.543 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.06 -36.5 83.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.756 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.17 -39.2 65.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.53 ' O ' HG11 ' A' ' 77' ' ' VAL . 22.7 m-85 -51.53 -59.02 4.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.665 0.603 . . . . 0.0 111.164 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -43.65 89.69 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.798 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.56 65.18 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.183 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CD1' HG23 ' A' ' 56' ' ' VAL . 37.9 m-85 -60.95 -55.76 29.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.168 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.564 HG22 ' SD ' ' B' ' 7' ' ' MET . 7.3 p -59.28 -46.35 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -175.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' B' ' 70' ' ' PHE . . . -77.39 -26.95 52.3 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.085 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -80.75 -31.72 35.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.178 -1.409 . . . . 0.0 111.107 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.463 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 33.6 m -72.47 -39.82 62.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.122 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.219 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -83.81 -23.86 31.24 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -147.09 -56.81 0.25 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.52 60.43 1.37 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 110.973 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.8 m 60.1 -91.47 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.753 1.221 . . . . 0.0 111.405 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 33.25 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -168.329 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 CA--C 1.497 -1.095 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.51 ' HG3' ' ND1' ' B' ' 15' ' ' HIS 0.301 8.5 pt-20 . . . . . 0 C--O 1.254 1.32 0 O-C-N 125.755 1.909 . . . . 0.0 109.808 -170.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 2.2 m . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 4.2 tp10 -73.78 -49.75 23.86 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -171.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 1.1 tm? -69.51 -34.36 74.18 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.663 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 29.4 tt0 -54.5 -53.67 51.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.265 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -62.93 -26.25 68.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -71.08 -42.04 69.9 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.564 ' SD ' HG22 ' A' ' 77' ' ' VAL . 53.3 ttp -62.96 -42.01 99.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.664 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 4' ' ' GLU . 66.8 t -59.15 -44.64 92.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.974 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.55 98.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.307 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 94.0 mt -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.739 0.304 . . . . 0.0 111.056 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -80.13 -30.52 12.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 12.7 t70 -72.42 -32.42 66.33 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.544 0.688 . . . . 0.0 109.559 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.41 -41.15 83.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.359 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.02 -49.73 76.79 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.003 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.51 ' ND1' ' HG3' ' A' ' 91' ' ' GLU . 9.1 t60 -44.94 -45.28 10.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.51 1.924 . . . . 0.0 112.164 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -62.25 -50.84 70.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.406 ' OH ' ' HG2' ' B' ' 24' ' ' LYS 0.286 2.1 p90 37.33 -135.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -175.446 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 62.1 m -151.15 -64.98 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.741 -0.599 . . . . 0.0 110.587 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.0 115.74 4.59 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.829 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -20.31 66.44 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 123.272 0.629 . . . . 0.0 112.666 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.64 -58.59 1.85 Allowed 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.8 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.24 -54.51 13.22 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.418 0.527 . . . . 0.0 114.418 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -77.73 -15.84 58.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.284 0.564 . . . . 0.0 111.049 -173.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' B' ' 24' ' ' LYS . 4.7 tmtm? -75.57 -36.76 60.29 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -69.7 -52.8 22.39 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.879 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.456 ' HD2' ' HB3' ' B' ' 67' ' ' GLU . 51.9 mtmt -148.56 155.09 40.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 173.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.08 -41.36 67.44 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.1 OUTLIER 74.48 136.85 0.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.914 1.286 . . . . 0.0 111.767 -173.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.14 -37.07 86.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 9.5 m -62.95 -32.69 74.06 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.063 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -85.4 -21.91 28.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.427 0.632 . . . . 0.0 110.282 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.493 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.95 -28.85 70.36 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' B' ' 30' ' ' SER . 2.4 tmmt? -55.22 -47.45 75.32 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 110.795 173.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 46.4 mt-10 -76.74 -29.11 56.02 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.014 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -51.69 68.64 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 32' ' ' LEU . 18.0 pt -68.75 -40.78 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -49.54 -36.68 24.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.4 1.08 . . . . 0.0 111.833 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -104.63 -52.68 2.84 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -14.48 38.89 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -171.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.645 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 3.9 tt -79.99 -64.7 1.13 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -162.5 147.54 12.29 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -103.95 -49.82 3.54 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.07 174.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -127.74 34.96 4.56 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.32 30.36 2.86 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.767 0.794 . . . . 0.0 109.022 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.87 28.04 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.743 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.16 13.15 15.69 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.141 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mt -108.71 -91.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -147.59 16.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.487 1.136 . . . . 0.0 109.122 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -89.08 -21.45 23.4 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -170.531 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -53.41 -39.5 64.36 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.83 -43.79 17.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.879 0.847 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 2.6 t -75.55 -25.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.314 -170.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.597 ' O ' HG13 ' B' ' 56' ' ' VAL . 75.9 t -65.89 -37.96 81.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.288 0.566 . . . . 0.0 110.027 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.64 -37.54 76.81 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.438 ' N ' ' HE3' ' B' ' 55' ' ' LYS . 0.4 OUTLIER -66.61 -36.66 83.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.182 178.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.745 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 7.7 p -67.75 -35.71 73.47 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.491 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -70.69 -36.51 73.32 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.411 0.624 . . . . 0.0 110.012 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.75 -57.1 9.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.298 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.0 p -61.8 -39.79 92.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.307 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.745 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 10.7 tp -48.0 -39.31 19.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.949 1.299 . . . . 0.0 110.794 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.68 -39.71 9.76 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.226 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.17 -34.33 49.67 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.22 -48.99 75.95 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.34 -132.58 2.54 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 117.227 -2.416 . . . . 0.0 116.007 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -71.96 159.85 33.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.451 0.7 . . . . 0.0 112.094 -172.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -93.29 45.28 2.43 Favored Glycine 0 N--CA 1.412 -2.911 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.882 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.456 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 13.5 pt-20 -109.21 151.19 26.83 Favored 'General case' 0 C--N 1.268 -2.976 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.456 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 61.7 m -130.67 117.71 19.88 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.572 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.43 ' O ' ' HD1' ' B' ' 73' ' ' PHE . 16.1 t70 -95.54 160.48 14.49 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 34.8 p90 -58.13 -31.0 66.77 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.174 0.59 . . . . 0.0 111.284 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.53 -36.48 83.93 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.509 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 39.7 mt-10 -73.49 -39.73 64.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.524 ' O ' HG11 ' B' ' 77' ' ' VAL . 23.5 m-85 -51.63 -59.43 4.28 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.799 0.687 . . . . 0.0 111.256 175.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -42.99 87.86 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.808 0.693 . . . . 0.0 111.76 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.09 50.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.036 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.594 ' CD1' HG23 ' B' ' 56' ' ' VAL . 38.6 m-85 -59.86 -55.72 30.73 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.125 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.527 HG22 ' SD ' ' A' ' 7' ' ' MET . 7.3 p -59.53 -46.88 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . . . -77.23 -24.12 51.25 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.03 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -83.39 -34.12 25.62 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 118.445 -1.302 . . . . 0.0 111.028 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.482 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 33.3 m -70.3 -39.08 76.26 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.203 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 m -83.94 -23.26 31.19 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.701 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.9 m -150.04 -56.16 0.17 Allowed 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 63.59 59.63 1.18 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.216 1.006 . . . . 0.0 111.845 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 m 62.41 -93.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 35.93 -90.28 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 C--O 1.255 1.364 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -169.433 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.526 ' H1 ' ' CD ' ' B' ' 39' ' ' GLU . 49.0 m . . . . . 0 N--CA 1.431 -1.405 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.46 -42.81 24.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -34.12 75.3 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -44.42 -60.48 1.93 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.601 1.16 . . . . 0.0 110.481 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -79.71 -21.01 45.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.547 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' HD11 ' A' ' 10' ' ' LEU . . . -68.41 -45.51 72.43 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.525 176.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -59.95 -41.91 92.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.305 0.574 . . . . 0.0 109.7 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.31 -37.18 77.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.541 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.26 85.03 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 6' ' ' ALA . 4.1 mp -59.42 -35.16 73.47 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.235 0.541 . . . . 0.0 110.524 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.91 -45.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.201 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.8 t70 -65.84 -38.11 88.0 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -68.87 -34.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.187 0.518 . . . . 0.0 109.85 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -68.74 -39.77 80.17 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 11.0 t60 -56.33 -40.2 74.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.617 1.967 . . . . 0.0 110.854 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 16.1 mm100 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -86.47 150.83 24.0 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.329 0.585 . . . . 0.0 112.075 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -73.4 37.67 0.09 Allowed 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.318 1.447 . . . . 0.0 114.854 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.3 -8.67 3.19 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.256 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -57.76 -18.93 24.39 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -132.89 -50.63 0.89 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 121.97 -0.456 . . . . 0.0 110.293 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.6 75.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.583 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 14.1 t70 -87.31 -96.44 0.09 Allowed 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.412 -0.915 . . . . 0.0 112.132 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.457 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 24.0 tptm -117.42 22.47 12.41 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.1 t60 71.51 13.49 6.43 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.282 -1.781 . . . . 0.0 106.896 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 53.8 mtmt -163.99 -177.58 5.14 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . 8.6 mp -111.02 147.42 34.8 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 119.485 1.039 . . . . 0.0 110.019 -173.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -65.83 163.0 17.71 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.552 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 99.4 mttt -67.98 -29.72 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.438 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.5 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 15.7 m -65.4 -22.89 66.84 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.946 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 27' ' ' LEU . 16.9 mm-40 -85.91 -28.45 24.34 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.791 0.805 . . . . 0.0 109.847 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.1 tm? -60.85 -22.65 64.45 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.754 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' ' 30' ' ' SER . 3.1 ttmt -52.23 -50.94 61.01 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.481 175.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.59 -39.02 93.32 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.906 0.86 . . . . 0.0 110.107 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.62 HD22 ' CE2' ' A' ' 73' ' ' PHE . 26.4 tp -63.71 -51.21 66.01 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.522 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.6 pt -68.34 -25.55 31.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -55.6 -37.71 68.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.581 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -112.73 -61.23 1.76 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CD ' ' H1 ' ' B' ' 1' ' ' SER . 5.9 mm-40 -87.03 71.89 10.15 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 123.022 1.392 . . . . 0.0 112.385 -176.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' HG ' HG22 ' A' ' 77' ' ' VAL . 4.9 tt -131.01 -64.91 0.8 Allowed 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 173.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -166.73 55.44 0.09 Allowed 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.266 1.426 . . . . 0.0 107.849 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.5 m80 70.36 -67.95 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.919 1.288 . . . . 0.0 112.949 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -134.51 -80.52 0.45 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.4 mt 59.09 98.72 0.02 OUTLIER 'General case' 0 C--N 1.341 0.203 0 O-C-N 124.637 1.211 . . . . 0.0 110.776 -173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -135.51 -9.63 2.17 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.1 10.57 5.87 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -171.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mp -113.88 -72.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 118.473 -1.291 . . . . 0.0 113.244 -170.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -123.77 -52.06 1.8 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 122.778 1.275 . . . . 0.0 109.381 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -56.5 -29.43 61.8 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.063 2.545 . . . . 0.0 114.024 -173.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -55.87 -22.14 23.84 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.22 -47.29 13.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.435 HG13 HG23 ' A' ' 56' ' ' VAL . 22.0 t -85.43 -26.91 6.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -169.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 57' ' ' MET . 78.1 t -55.44 -43.72 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.092 0.406 . . . . 0.0 111.705 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 30.7 t70 -63.79 -44.82 92.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -62.58 -34.28 76.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.053 0.941 . . . . 0.0 110.514 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 HG13 ' A' ' 52' ' ' VAL . 5.0 t -68.33 -41.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 124.748 1.219 . . . . 0.0 110.57 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.042 0.448 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 37.6 mm-40 -66.99 -58.24 5.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.857 173.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -59.5 -41.51 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.09 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 2.8 mp -50.35 -51.98 41.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.418 0.687 . . . . 0.0 111.248 175.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.44 -43.55 60.09 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.836 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.23 -49.22 36.9 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.736 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.91 -44.63 8.8 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.32 49.84 3.99 Favored Glycine 0 CA--C 1.499 -0.931 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -168.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -80.84 -23.85 38.84 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.583 0.706 . . . . 0.0 109.813 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.74 -56.78 3.24 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.469 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 10.0 pt-20 -178.4 179.97 0.73 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.584 0.753 . . . . 0.0 110.565 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -136.05 121.79 19.75 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -90.61 171.13 9.6 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -74.7 -17.46 60.66 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.23 -35.41 73.84 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.949 -1.101 . . . . 0.0 109.494 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -77.26 -30.31 54.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CE2' HD22 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.53 -51.95 51.01 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 171.145 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 1.1 tpt -60.8 -51.67 68.32 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.325 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.93 -51.77 54.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.01 -49.93 70.5 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.607 HG11 ' O ' ' A' ' 73' ' ' PHE . 8.5 p -67.5 -32.56 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.408 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.87 29.92 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.832 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -67.0 -40.77 87.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.38 -31.78 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.441 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 m -84.12 -36.13 23.17 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.861 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 p -94.45 -22.17 18.45 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -35.58 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.433 ' O ' ' HD2' ' A' ' 85' ' ' HIS . 24.5 p 169.87 -48.88 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 126.918 2.087 . . . . 0.0 106.361 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.433 ' HD2' ' O ' ' A' ' 84' ' ' CYS . 3.0 m170 -157.48 -166.49 2.04 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 102.204 -3.258 . . . . 0.0 102.204 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.281 -2.41 0 CA-C-N 119.062 0.846 . . . . 0.0 109.723 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -171.499 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.483 ' H1 ' ' CD ' ' A' ' 39' ' ' GLU . 42.9 m . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.05 -43.93 32.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.79 -33.18 70.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' B' ' 1' ' ' SER . 8.4 tp10 -46.28 -57.01 4.96 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.708 1.203 . . . . 0.0 110.662 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -83.06 -21.6 33.72 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.479 ' O ' HD11 ' B' ' 10' ' ' LEU . . . -66.29 -47.23 74.3 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 122.982 0.176 . . . . 0.0 110.901 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -58.19 -41.93 85.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.35 0.595 . . . . 0.0 110.021 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.34 -37.48 78.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.724 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.41 89.56 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.479 HD11 ' O ' ' B' ' 6' ' ' ALA . 4.2 mp -59.93 -34.66 73.54 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.196 0.522 . . . . 0.0 110.526 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.0 mt -80.42 -45.75 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.316 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 38.5 t70 -66.93 -36.54 82.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.4 -33.56 58.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.83 -39.07 76.69 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 7.8 t60 -57.68 -41.32 81.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.186 1.794 . . . . 0.0 110.73 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 16.3 mm100 -64.43 -35.13 79.93 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.069 0.548 . . . . 0.0 112.288 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -73.82 149.78 41.43 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.382 0.611 . . . . 0.0 112.631 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -75.18 50.51 0.49 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.349 1.06 . . . . 0.0 113.72 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.16 -2.44 0.99 Allowed Glycine 0 C--N 1.312 -0.79 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.563 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -16.45 58.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.681 0.792 . . . . 0.0 112.934 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.11 -55.69 0.86 Allowed 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.77 72.88 Favored Glycine 0 C--N 1.319 -0.404 0 N-CA-C 116.281 1.272 . . . . 0.0 116.281 -173.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.597 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 14.5 t70 -79.31 -90.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.957 0.879 . . . . 0.0 112.773 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.472 ' HG2' ' HB3' ' B' ' 67' ' ' GLU . 24.1 tptm -122.33 18.53 10.62 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 t60 75.11 11.9 3.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.755 -169.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 52.8 mtmt -164.5 179.65 6.56 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' B' ' 31' ' ' GLU . 8.3 mp -108.25 147.89 30.75 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 119.506 1.048 . . . . 0.0 110.167 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -65.65 162.37 18.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 168.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 99.5 mttt -67.73 -30.47 69.96 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.487 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.524 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 15.9 m -64.29 -23.7 67.39 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' B' ' 27' ' ' LEU . 11.4 mm-40 -85.76 -31.07 22.58 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.653 0.74 . . . . 0.0 109.628 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.488 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -58.77 -23.24 59.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.694 1.198 . . . . 0.0 109.041 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -52.15 -48.03 65.13 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.761 1.224 . . . . 0.0 111.913 175.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.58 -34.97 74.91 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.813 0.816 . . . . 0.0 110.453 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.64 HD22 ' CE2' ' B' ' 73' ' ' PHE . 26.4 tp -64.71 -50.33 67.36 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.041 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.488 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.5 pt -68.24 -24.52 29.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -55.77 -38.59 70.09 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.438 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -112.97 -60.45 1.88 Allowed 'General case' 0 C--O 1.25 1.08 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.526 ' CD ' ' H1 ' ' A' ' 1' ' ' SER . 5.2 mm-40 -87.19 71.92 10.01 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.043 1.401 . . . . 0.0 111.959 -176.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.458 ' HG ' HG22 ' B' ' 77' ' ' VAL . 4.6 tt -131.98 -64.75 0.77 Allowed 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 103.649 -2.723 . . . . 0.0 103.649 173.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -165.41 52.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.946 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.9 m80 71.45 -65.92 0.32 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.615 1.166 . . . . 0.0 112.015 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.93 -79.96 0.44 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.4 mt 59.37 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.618 1.199 . . . . 0.0 110.858 -173.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -134.51 -5.82 2.56 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.099 -0.376 . . . . 0.0 111.695 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -135.85 9.96 3.34 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.4 HG23 ' HG2' ' B' ' 48' ' ' LYS . 2.9 mp -113.75 -76.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 C-N-CA 117.717 -1.593 . . . . 0.0 112.143 -171.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.4 ' HG2' HG23 ' B' ' 47' ' ' ILE . 14.3 mmmm -118.53 -51.99 2.38 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 122.43 1.109 . . . . 0.0 109.548 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.47 ' O ' HG21 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -57.71 -30.46 65.53 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.022 2.529 . . . . 0.0 113.861 -173.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -53.57 -24.45 13.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -80.88 -46.84 14.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.424 HG13 HG23 ' B' ' 56' ' ' VAL . 19.8 t -85.69 -28.73 6.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.524 -170.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 57' ' ' MET . 76.2 t -54.75 -43.73 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.15 0.432 . . . . 0.0 111.726 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.96 -45.91 90.23 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.379 0.609 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -62.6 -34.02 76.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.146 0.978 . . . . 0.0 110.386 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.424 HG23 HG13 ' B' ' 52' ' ' VAL . 4.6 t -68.51 -41.16 82.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.587 0 C-N-CA 124.663 1.185 . . . . 0.0 110.664 174.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.9 mmt -64.61 -36.39 84.08 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.464 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -63.24 -56.82 13.44 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 123.954 0.784 . . . . 0.0 110.481 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.4 p -60.31 -40.68 91.44 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.796 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 3.1 mp -52.77 -51.59 60.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.22 0.608 . . . . 0.0 111.289 173.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.51 -46.27 66.93 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.287 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -74.28 -49.64 22.27 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.771 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.51 -47.84 8.03 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.93 54.69 4.97 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 116.243 1.257 . . . . 0.0 116.243 -168.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.51 -25.61 28.7 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.688 0.756 . . . . 0.0 109.432 175.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.62 -55.56 3.87 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.911 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.472 ' HB3' ' HG2' ' B' ' 24' ' ' LYS . 9.8 pt-20 -179.34 -177.91 0.47 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.939 0.896 . . . . 0.0 110.923 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -137.88 124.15 20.53 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 105.41 -2.071 . . . . 0.0 105.41 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -93.59 171.79 8.67 Favored 'General case' 0 C--N 1.278 -2.535 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -75.18 -17.64 60.33 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 122.656 0.382 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.2 -34.84 71.23 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.305 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.69 -31.25 57.11 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.64 ' CE2' HD22 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -51.11 -52.78 40.42 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 171.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' B' ' 74' ' ' MET . 1.0 OUTLIER -60.13 -50.91 71.81 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.13 176.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.45 -51.45 59.22 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -64.81 -49.6 70.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.511 HG13 ' O ' ' B' ' 73' ' ' PHE . 9.3 p -67.9 -31.6 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-O 120.961 0.41 . . . . 0.0 111.376 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.71 -51.72 38.52 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.061 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -68.83 -40.79 79.28 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -61.48 -31.48 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.213 0.53 . . . . 0.0 111.41 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.0 m -82.78 -45.78 13.94 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.533 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.1 p -87.35 -18.21 30.62 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -38.77 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.093 1.357 . . . . 0.0 114.411 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 21.0 p 166.06 -44.58 0.0 OUTLIER 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 127.528 2.331 . . . . 0.0 106.08 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -162.49 -162.6 0.82 Allowed 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 103.625 -2.731 . . . . 0.0 103.625 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.29 -2.015 0 CA-C-N 118.834 0.743 . . . . 0.0 111.396 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 18.5 m . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.957 0.408 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -50.19 63.21 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.13 -33.63 74.83 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.161 0.505 . . . . 0.0 111.6 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 1' ' ' SER . 37.1 tt0 -55.89 -53.7 53.63 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.989 -1.46 . . . . 0.0 109.561 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.94 -34.64 69.19 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.22 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -59.57 4.42 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.749 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -57.32 -41.89 80.81 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.56 -23.81 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.433 0.635 . . . . 0.0 110.494 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.49 -43.93 25.78 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.153 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 -41.69 98.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.87 -29.58 41.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.513 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -77.5 -53.03 8.11 Favored 'General case' 0 C--O 1.247 0.961 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.97 -26.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.442 0.697 . . . . 0.0 111.733 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.08 -46.14 82.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.774 0.83 . . . . 0.0 111.089 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -85.09 -30.9 23.68 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.98 -40.09 79.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.239 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -68.65 -65.34 0.71 Allowed 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m -154.4 88.64 1.23 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -35.82 48.81 Favored Glycine 0 CA--C 1.496 -1.114 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -56.38 -28.06 58.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.779 -0.711 . . . . 0.0 110.585 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -91.33 -66.73 0.9 Allowed 'General case' 0 N--CA 1.413 -2.32 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.86 -43.84 39.61 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.659 1.023 . . . . 0.0 115.659 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.26 -31.28 33.79 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.139 0.495 . . . . 0.0 111.805 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.26 -61.22 1.47 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -99.46 4.46 46.12 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' HB3' ' A' ' 67' ' ' GLU 0.264 0.0 OUTLIER 65.87 164.13 0.17 Allowed 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 125.262 1.425 . . . . 0.0 111.011 -170.931 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -78.77 -33.95 46.0 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -169.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 69.65 139.64 0.04 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.088 0.947 . . . . 0.0 110.974 -169.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.02 -19.78 59.91 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.764 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 13.9 m -67.22 -28.69 68.27 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.459 177.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -74.61 -28.52 60.93 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.9 tm? -62.64 -26.0 68.41 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 30' ' ' SER . 3.9 tmmm? -59.55 -50.67 73.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.806 0.812 . . . . 0.0 111.459 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.34 -32.9 74.69 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.966 0.888 . . . . 0.0 110.107 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' A' ' 73' ' ' PHE . 13.6 tp -72.03 -45.74 59.7 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.708 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 2.9 pt -61.19 -36.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 121.078 0.466 . . . . 0.0 110.866 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.6 -30.68 70.85 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.421 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -122.52 -68.54 0.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -176.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.72 -14.71 56.18 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 6.7 mp -94.08 -70.41 0.71 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.529 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 t -91.63 83.67 5.37 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.76 -44.65 66.3 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.274 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -154.49 20.39 0.47 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.388 0.613 . . . . 0.0 110.348 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.07 20.6 4.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.677 0.751 . . . . 0.0 110.757 -173.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 34.1 mt-10 -72.09 -3.21 21.79 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.167 -175.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.82 -4.19 50.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.023 -174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -86.13 -86.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.241 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -116.02 -79.62 0.59 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.485 ' HG3' ' HA ' ' A' ' 45' ' ' GLU . 4.0 mm-40 57.8 -73.26 0.02 OUTLIER 'General case' 0 C--O 1.184 -2.386 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 170.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -48.06 -42.1 27.72 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -165.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -74.95 -46.64 34.18 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 122.043 0.925 . . . . 0.0 109.798 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 12.0 t -72.94 -33.54 43.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.639 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.619 ' O ' HG11 ' A' ' 56' ' ' VAL . 77.1 t -63.27 -37.0 78.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 C-N-CA 123.078 0.551 . . . . 0.0 109.731 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.18 -41.64 85.55 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.691 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -67.12 -35.75 80.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.57 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.619 HG11 ' O ' ' A' ' 53' ' ' VAL . 1.9 p -68.83 -37.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -63.14 -33.92 76.5 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.18 -62.48 1.36 Allowed 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.204 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -66.3 -49.7 66.16 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.68 -46.12 77.65 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 123.555 0.742 . . . . 0.0 111.177 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.68 -32.27 25.67 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.21 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -71.25 -42.06 69.31 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.31 -59.11 4.77 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.55 -68.51 1.51 Allowed Glycine 0 C--O 1.24 0.504 0 O-C-N 123.672 0.608 . . . . 0.0 113.744 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.07 -62.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.029 2.132 . . . . 0.0 112.558 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.31 -49.39 0.75 Allowed Glycine 0 C--N 1.291 -1.942 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.5 pm0 -116.69 151.46 36.29 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.615 176.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -113.47 119.72 38.55 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.06 160.45 24.51 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.8 -21.73 66.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.546 0.689 . . . . 0.0 110.047 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.05 -42.15 76.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.26 -28.77 59.97 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.297 0.57 . . . . 0.0 110.239 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 2.7 t80 -54.88 -45.59 74.68 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.23 46.81 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.461 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.5 -56.64 10.7 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -67.3 -41.51 85.24 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.0 p -70.58 -38.57 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.223 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.13 73.95 Favored 'General case' 0 N--CA 1.438 -1.051 0 O-C-N 122.022 -0.424 . . . . 0.0 111.417 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.512 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.6 ptt? -81.54 -26.7 34.85 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 118.525 -1.27 . . . . 0.0 112.535 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 31.0 m -75.35 -44.84 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.295 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.8 m -78.63 -51.95 9.15 Favored 'General case' 0 N--CA 1.407 -2.611 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.506 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.8 m -77.37 -73.58 0.29 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 42.58 68.45 0.48 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.24 1.016 . . . . 0.0 111.621 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t 70.25 -32.87 0.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.256 1.422 . . . . 0.0 113.222 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -84.64 153.13 23.35 Favored 'General case' 0 C--O 1.208 -1.091 0 O-C-N 121.719 -0.613 . . . . 0.0 111.672 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.602 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 4.2 mm-40 . . . . . 0 C--O 1.195 -1.792 0 C-N-CA 124.872 1.269 . . . . 0.0 110.846 -166.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 28.9 t-80 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.275 16.6 pt-20 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 116.427 -1.749 . . . . 0.0 108.831 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 19.3 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.845 0.355 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -47.54 66.18 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.64 -34.11 77.12 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.26 0.553 . . . . 0.0 111.296 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' B' ' 1' ' ' SER . 38.8 tt0 -55.45 -52.35 63.9 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.479 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -74.06 -34.0 63.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.336 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -57.54 7.72 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.824 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -58.21 -41.69 84.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.2 -24.9 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 121.395 0.617 . . . . 0.0 110.272 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.72 -44.38 33.63 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.33 -40.36 96.11 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.76 -29.45 37.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.762 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -77.85 -53.23 7.72 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' B' ' 73' ' ' PHE . 14.1 p -53.73 -26.87 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.599 0.76 . . . . 0.0 111.895 -176.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -57.23 -45.72 83.65 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.822 0.849 . . . . 0.0 111.191 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -85.8 -30.21 23.18 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -57.91 -42.19 84.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.752 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.63 -62.6 1.42 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 63.3 m -158.81 91.13 1.03 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -34.04 49.39 Favored Glycine 0 CA--C 1.497 -1.046 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -54.82 -32.76 60.77 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.662 -0.769 . . . . 0.0 110.268 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -87.18 -66.71 0.88 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.666 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' B' ' 26' ' ' LYS . . . -49.71 -43.56 38.0 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 115.521 0.968 . . . . 0.0 115.521 -169.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.52 -29.48 30.42 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -104.82 -66.91 0.94 Allowed 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -93.87 6.22 49.13 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.676 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' HB3' ' B' ' 67' ' ' GLU 0.268 0.0 OUTLIER 64.46 167.21 0.16 Allowed 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.367 1.467 . . . . 0.0 111.364 -171.58 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -79.96 -32.15 39.89 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.9 135.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.946 0.879 . . . . 0.0 111.083 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.25 -22.37 61.24 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.442 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 18.9 m -64.02 -27.58 69.21 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.665 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -81.44 -21.98 38.48 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 121.99 -0.444 . . . . 0.0 110.708 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.474 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -65.6 -25.81 67.56 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' B' ' 30' ' ' SER . 3.7 tmmm? -58.48 -50.75 72.59 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 122.064 0.935 . . . . 0.0 111.015 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.1 -38.44 82.95 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.32 175.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.596 HD23 ' CZ ' ' B' ' 73' ' ' PHE . 15.8 tp -70.3 -44.23 68.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.819 -175.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.564 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 3.1 pt -62.97 -34.73 67.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 118.021 0.373 . . . . 0.0 111.246 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 -29.82 70.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.475 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -124.84 -70.82 0.73 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.47 -15.85 57.08 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -170.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 6.5 mp -93.42 -70.41 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.942 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -91.81 85.22 5.55 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -69.49 -40.23 77.16 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.394 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -161.2 23.6 0.13 Allowed 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.77 19.64 7.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.498 0.665 . . . . 0.0 110.954 -173.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -70.49 -1.34 10.58 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.015 1.326 . . . . 0.0 112.916 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.2 -16.4 27.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.905 0.482 . . . . 0.0 112.244 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.1 -82.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -121.32 -79.65 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 57.97 -73.43 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.315 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -49.37 -37.88 26.46 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -165.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -77.51 -47.6 19.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.889 0.852 . . . . 0.0 109.682 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 12.9 t -71.22 -35.35 57.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.716 -173.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.622 ' O ' HG11 ' B' ' 56' ' ' VAL . 76.9 t -63.28 -37.09 78.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 C-N-CA 123.156 0.582 . . . . 0.0 109.866 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -42.35 89.61 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -68.12 -35.22 77.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.703 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.622 HG11 ' O ' ' B' ' 53' ' ' VAL . 2.0 p -68.39 -36.19 73.87 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.674 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.621 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.3 mmt -64.99 -28.61 69.63 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 121.267 0.556 . . . . 0.0 110.131 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.88 -62.24 1.66 Allowed 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.713 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.8 p -65.13 -49.58 69.35 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.8 tp -55.92 -46.52 78.42 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 123.43 0.692 . . . . 0.0 111.07 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.39 -32.89 32.61 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.062 -176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -38.55 57.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.961 0.41 . . . . 0.0 110.141 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.16 -55.06 36.71 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.09 -72.69 0.72 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.461 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 67.6 -56.88 0.46 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.154 2.182 . . . . 0.0 112.462 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.67 -45.53 1.1 Allowed Glycine 0 C--N 1.295 -1.74 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.449 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 2.0 pm0 -119.0 152.59 36.12 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.177 -0.511 . . . . 0.0 111.31 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.7 t -114.79 119.29 36.15 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 170.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -83.49 161.55 21.21 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -63.47 -21.74 66.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.995 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -68.31 -42.9 78.75 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.731 172.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.16 -28.49 60.12 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 110.404 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 2.8 t80 -55.05 -45.97 75.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.565 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -47.14 55.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.5 175.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.12 -57.84 7.67 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.79 -39.39 87.75 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.65 -39.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.181 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.54 77.41 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 122.254 -0.279 . . . . 0.0 111.387 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptt? -79.6 -28.12 41.03 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.628 -179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.495 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 27.5 m -74.49 -43.78 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.703 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.391 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -80.55 -50.14 10.4 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.677 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.5 m -78.82 -73.87 0.31 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 41.69 69.05 0.39 Allowed 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.182 0.993 . . . . 0.0 111.826 -175.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.5 t 71.45 -34.27 0.29 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.336 1.454 . . . . 0.0 113.2 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -85.57 151.89 23.57 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 121.652 -0.655 . . . . 0.0 111.515 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.197 -1.659 0 C-N-CA 124.795 1.238 . . . . 0.0 110.625 -166.738 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.241 0.658 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.44 -49.11 65.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.768 0.827 . . . . 0.0 110.161 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -40.76 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -176.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -54.57 -56.26 20.75 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.834 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.13 -44.12 74.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.845 0.858 . . . . 0.0 110.832 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.76 96.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.024 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.97 -47.2 84.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.204 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -60.24 -44.59 95.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.458 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.26 86.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.11 -42.52 93.87 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.491 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 40.4 pt -74.28 -31.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.54 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.07 -28.78 27.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.486 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.51 -35.02 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 121.14 0.495 . . . . 0.0 110.491 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 27' ' ' LEU . 85.8 t80 -65.34 -45.98 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.826 0.822 . . . . 0.0 108.858 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.45 -49.52 77.24 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.556 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -58.22 -27.87 64.33 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.729 0.812 . . . . 0.0 112.911 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.42 -49.28 69.79 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 t -149.04 92.04 1.92 Allowed 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.133 0.492 . . . . 0.0 111.017 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.99 59.56 4.93 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-O 121.63 0.572 . . . . 0.0 112.762 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -45.35 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -77.56 -49.5 14.54 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -59.26 -59.82 9.98 Favored Glycine 0 CA--C 1.483 -1.951 0 O-C-N 124.617 1.198 . . . . 0.0 111.38 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.62 -59.11 1.73 Allowed 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.741 0.907 . . . . 0.0 112.967 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.38 -52.97 7.05 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -130.18 17.59 5.52 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.6 mmpt? 67.25 -167.65 0.2 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.578 0.751 . . . . 0.0 110.972 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 52.9 mt -146.98 153.1 39.67 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -80.94 154.26 27.08 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.653 0.596 . . . . 0.0 110.205 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' HZ1' ' CD ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -64.15 -18.25 64.26 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.834 174.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.688 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.8 m -53.65 -38.54 64.21 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.35 -19.96 48.97 Favored 'General case' 0 C--O 1.259 1.604 0 CA-C-O 122.14 0.971 . . . . 0.0 110.943 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 20.6 tp -61.71 -19.25 62.18 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.85 174.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.688 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -51.19 -34.36 31.42 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.823 0.849 . . . . 0.0 112.741 176.02 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 17.8 mt-10 -82.52 -38.7 23.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.473 0.654 . . . . 0.0 110.047 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.52 -34.59 76.15 Favored 'General case' 0 CA--C 1.558 1.287 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.836 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 HD22 ' A' ' 40' ' ' LEU . 11.2 pt -67.66 -43.64 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 O-C-N 121.951 -0.468 . . . . 0.0 111.499 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.88 -30.93 62.31 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.227 0.611 . . . . 0.0 111.338 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -92.35 -60.73 1.76 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -87.78 -62.11 1.57 Allowed 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -172.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD22 HG22 ' A' ' 36' ' ' ILE . 4.9 mp -70.37 -20.52 62.96 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.7 m -129.43 96.43 4.28 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.769 -0.582 . . . . 0.0 110.2 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.468 ' O ' HD23 ' A' ' 44' ' ' LEU . 56.9 p-80 -140.7 102.33 4.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.809 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 70.68 7.2 6.13 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 124.265 1.026 . . . . 0.0 112.751 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 42' ' ' HIS . 2.9 mm? -84.63 72.84 10.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.13 -20.14 4.2 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.776 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -92.03 1.25 57.31 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.892 -169.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.1 mt -112.82 -87.14 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.837 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -150.67 8.83 0.59 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.235 0.54 . . . . 0.0 110.829 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 mp0 -76.59 -23.25 53.48 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.8 -30.44 63.69 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.353 0.524 . . . . 0.0 111.109 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.8 mm-40 -73.05 -49.52 28.22 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.05 -28.11 35.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.257 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 57' ' ' MET . 70.6 t -64.09 -36.01 75.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 25.8 t70 -70.95 -41.39 71.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.166 0.507 . . . . 0.0 110.153 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 26.4 mmmt -66.05 -34.97 79.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.002 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.5 p -68.53 -33.65 61.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -67.7 -39.12 84.4 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 45.4 mt-10 -66.58 -51.24 58.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.062 0.458 . . . . 0.0 110.395 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.4 p -65.31 -41.75 93.72 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 7.7 tp -51.95 -49.39 63.27 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.933 0.893 . . . . 0.0 110.281 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.57 -51.87 51.73 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.338 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -70.86 -39.33 72.96 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.42 -10.1 45.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.95 0.881 . . . . 0.0 110.543 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.17 62.12 0.02 OUTLIER Glycine 0 N--CA 1.473 1.113 0 CA-C-N 114.414 -1.266 . . . . 0.0 115.282 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.51 -41.32 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 123.901 0.88 . . . . 0.0 109.464 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.29 41.43 3.06 Favored Glycine 0 CA--C 1.495 -1.167 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.473 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 59.13 -162.44 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.243 1.417 . . . . 0.0 110.325 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.439 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 48.6 t -138.88 117.72 12.36 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 172.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.13 164.67 12.77 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 11' ' ' ILE . 27.6 m-85 -63.63 -31.17 72.25 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.629 0.772 . . . . 0.0 109.57 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.0 -33.55 76.33 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.098 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' CD ' ' HZ1' ' A' ' 29' ' ' LYS . 42.2 mt-10 -78.14 -29.45 48.78 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.517 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 7.2 m-85 -52.08 -54.52 29.33 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 123.479 0.487 . . . . 0.0 110.041 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.429 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 1.3 tpt -59.53 -41.89 91.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.983 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.59 -52.64 63.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.428 0.632 . . . . 0.0 111.424 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -64.23 -43.56 94.56 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 73' ' ' PHE . 14.9 p -71.53 -38.87 69.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.588 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -68.66 -30.59 69.31 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.029 -0.669 . . . . 0.0 111.405 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -78.11 -29.61 49.02 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.614 -1.634 . . . . 0.0 111.624 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.34 -52.57 12.48 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.917 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 m -84.8 -39.08 18.8 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 19.2 m -86.71 -53.83 4.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -23.59 12.99 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.2 p -72.55 -65.79 0.74 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -126.83 -1.77 6.62 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.753 -0.592 . . . . 0.0 112.428 -176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 82' ' ' THR . 61.4 mm-40 . . . . . 0 C--N 1.306 -1.302 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 106.727 -1.582 . . . . 0.0 106.727 173.678 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.08 -49.98 63.24 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.635 0.774 . . . . 0.0 109.694 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.91 95.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.483 -176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.434 ' O ' HG21 ' B' ' 8' ' ' VAL . 34.0 tt0 -54.47 -57.7 10.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.781 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -53.22 -44.08 67.75 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.202 1.001 . . . . 0.0 110.99 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.48 92.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -62.51 -47.17 85.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.027 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.434 HG21 ' O ' ' B' ' 4' ' ' GLU . 96.8 t -59.34 -45.7 93.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.97 83.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.1 -42.77 93.7 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.441 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 41.6 pt -74.24 -33.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.666 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -83.97 -26.85 28.89 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.413 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.34 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-O 121.235 0.54 . . . . 0.0 110.215 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' B' ' 27' ' ' LEU . 87.2 t80 -63.24 -46.51 86.58 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 122.101 0.953 . . . . 0.0 108.639 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -59.53 -49.1 79.1 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.898 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -59.55 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.693 0.797 . . . . 0.0 112.699 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.79 -51.39 68.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.1 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.4 t -146.14 96.95 2.87 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.269 0.557 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.04 60.18 4.14 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.282 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.92 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.5 -48.49 32.92 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.432 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -59.91 -58.86 11.98 Favored Glycine 0 CA--C 1.488 -1.645 0 O-C-N 124.659 1.224 . . . . 0.0 111.182 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -44.98 -54.85 6.08 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.592 0.71 . . . . 0.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -81.25 -63.03 1.49 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -126.17 26.54 6.46 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -169.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 9.4 mmpt? 62.7 -166.15 0.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.865 0.728 . . . . 0.0 111.991 175.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.453 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 61.2 mt -147.99 152.47 37.52 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 123.918 0.887 . . . . 0.0 108.642 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -81.61 154.7 26.02 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.69 0.619 . . . . 0.0 109.73 175.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.569 ' HZ1' ' CD ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -63.42 -18.05 63.31 Favored 'General case' 0 C--O 1.206 -1.229 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.573 173.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.711 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 2.4 m -52.44 -39.32 60.9 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 123.03 0.532 . . . . 0.0 109.854 172.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.47 -19.56 45.72 Favored 'General case' 0 C--O 1.258 1.548 0 CA-C-O 122.053 0.93 . . . . 0.0 110.768 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 22.5 tp -61.95 -19.2 62.5 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.716 174.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.711 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -51.52 -34.76 37.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.921 0.889 . . . . 0.0 112.368 176.15 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.448 ' HG3' ' CD ' ' B' ' 33' ' ' LYS . 11.9 mt-10 -84.02 -35.72 23.66 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.384 0.611 . . . . 0.0 110.724 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.64 -33.44 70.98 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.656 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.443 HG22 HD22 ' B' ' 40' ' ' LEU . 10.9 pt -69.11 -41.92 81.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 121.86 -0.525 . . . . 0.0 110.874 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.23 -32.01 64.07 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 123.939 0.775 . . . . 0.0 111.37 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -91.86 -59.47 2.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -87.25 -63.0 1.37 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -171.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.443 HD22 HG22 ' B' ' 36' ' ' ILE . 5.0 mp -70.06 -19.36 63.29 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -170.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -130.38 99.19 4.92 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.334 0.587 . . . . 0.0 110.083 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.499 ' O ' HD23 ' B' ' 44' ' ' LEU . 52.4 p-80 -142.53 102.32 4.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.791 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 71.58 3.91 4.85 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 124.011 0.925 . . . . 0.0 112.842 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.499 HD23 ' O ' ' B' ' 42' ' ' HIS . 2.6 mm? -82.66 76.31 9.52 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -130.38 -16.35 3.5 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.865 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -95.57 -4.74 44.08 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.441 HD11 ' OE2' ' B' ' 49' ' ' GLU . 34.6 mt -106.99 -86.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.231 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.69 -175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -150.52 7.09 0.57 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.168 0.509 . . . . 0.0 110.779 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.471 ' O ' HG23 ' B' ' 53' ' ' VAL . 20.4 mp0 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -56.51 -31.64 64.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.126 0.489 . . . . 0.0 111.359 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 17.1 mm-40 -71.62 -50.9 26.45 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -68.14 -28.1 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.307 -174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.55 ' O ' HG13 ' B' ' 56' ' ' VAL . 73.2 t -64.61 -35.05 73.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.244 0.545 . . . . 0.0 109.773 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 51' ' ' GLU . 25.5 mmmt -64.12 -35.9 82.27 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.954 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.705 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.7 p -68.59 -32.0 53.38 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.4 mmt -69.99 -41.97 73.7 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.48 -49.98 74.6 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.107 0.479 . . . . 0.0 110.553 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.1 p -68.61 -42.45 78.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.569 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 8.3 tp -51.33 -50.16 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.891 0.877 . . . . 0.0 110.36 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.95 -46.04 72.54 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.37 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.39 -43.81 59.81 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.93 -6.72 57.08 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 122.358 1.075 . . . . 0.0 110.566 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.26 59.57 0.04 OUTLIER Glycine 0 C--N 1.3 -1.417 0 CA-C-N 114.371 -1.286 . . . . 0.0 115.071 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.88 -41.18 0.4 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 123.583 0.753 . . . . 0.0 109.715 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.38 45.42 3.13 Favored Glycine 0 CA--C 1.488 -1.634 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.848 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 57.41 -160.13 0.24 Allowed 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 125.699 1.6 . . . . 0.0 110.695 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.543 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 46.3 t -140.87 115.84 9.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 172.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -92.61 165.74 12.84 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 29.1 m-85 -67.91 -28.89 67.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.63 -32.44 73.92 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.749 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.569 ' CD ' ' HZ1' ' B' ' 29' ' ' LYS . 44.7 mt-10 -78.99 -31.98 45.05 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.505 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 6.8 m-85 -50.7 -54.65 21.45 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.58 0.55 . . . . 0.0 109.958 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.404 ' HE2' ' HA ' ' B' ' 74' ' ' MET . 1.5 tpt -59.44 -41.6 89.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.099 -179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.54 67.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.392 0.615 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.23 -45.44 88.18 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.537 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.85 -38.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.633 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.95 -29.25 67.45 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.47 -176.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.42 -29.81 42.06 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.336 -1.746 . . . . 0.0 111.737 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.3 m -84.21 -52.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.977 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -84.5 -39.37 18.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.354 0.597 . . . . 0.0 112.364 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 17.0 m -88.12 -52.11 5.42 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.77 -6.16 3.43 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.23 -58.85 2.59 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.348 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -131.99 -9.25 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.306 -1.297 0 O-C-N 121.328 -0.857 . . . . 0.0 110.442 -178.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.316 0.579 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.38 -40.56 94.76 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.532 0.682 . . . . 0.0 110.418 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.2 -22.56 61.25 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.0 -44.42 89.32 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.87 -38.0 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.404 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.29 -47.01 71.9 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.953 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -63.58 -40.83 97.97 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 109.774 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.34 -35.0 63.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.875 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -45.01 91.86 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.182 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.9 mp -61.83 -51.79 66.8 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 121.415 0.626 . . . . 0.0 110.307 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 pt -72.45 -37.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.8 t70 -69.03 -41.04 78.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.328 -0.233 . . . . 0.0 111.172 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.83 -35.92 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.522 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 2.8 m-30 -63.31 -38.14 90.0 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -68.83 -42.02 77.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.8 mm-40 -53.46 -41.78 66.5 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.899 0.479 . . . . 0.0 111.824 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.33 62.68 2.39 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.6 m 60.38 14.47 4.74 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.333 1.053 . . . . 0.0 113.032 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' A' ' 23' ' ' ASP . . . -83.34 62.47 4.62 Favored Glycine 0 CA--C 1.495 -1.209 0 CA-C-O 121.584 0.547 . . . . 0.0 113.85 -174.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 -34.06 0.88 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.755 -0.722 . . . . 0.0 109.937 173.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.15 -42.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.871 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.31 -45.15 75.5 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 175.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.529 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 21.6 t70 -93.82 152.25 19.04 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.47 15.79 0.56 Allowed 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 125.481 1.512 . . . . 0.0 111.375 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.402 ' O ' ' HE3' ' A' ' 26' ' ' LYS . 22.1 m80 59.84 29.11 18.69 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.963 0.887 . . . . 0.0 109.133 -170.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 7.7 mmpt? -149.85 106.45 3.52 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 101.945 -3.354 . . . . 0.0 101.945 -177.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.522 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 tm? -75.79 -35.4 60.1 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -159.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HZ2' ' HB2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 74.77 136.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.762 0.791 . . . . 0.0 110.831 -175.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 8.2 mtmp? -63.75 -22.73 67.06 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.481 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.653 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.9 m -55.99 -47.46 77.68 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.294 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.79 -18.17 38.62 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 121.585 0.707 . . . . 0.0 111.252 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.9 tm? -61.03 -20.29 62.37 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.26 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.653 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.29 -38.39 65.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.796 0.838 . . . . 0.0 112.333 174.283 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.551 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 25.2 mt-10 -74.03 -35.24 64.32 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.36 -53.66 53.81 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.757 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.5 pt -64.14 -38.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.9 -44.73 39.03 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.208 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -101.3 -64.07 1.08 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -78.98 -5.88 54.93 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' ' 77' ' ' VAL . 4.8 tt -90.33 -44.5 9.64 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.2 m -137.6 136.18 37.31 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -76.49 -67.73 0.66 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 166.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -127.43 21.49 6.61 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.74 87.65 6.32 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 50' ' ' GLN . 36.5 mt-10 -144.04 17.11 1.75 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 18.09 2.46 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.02 -60.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -150.33 -31.19 0.2 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.837 0.855 . . . . 0.0 111.495 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.73 -25.72 68.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 C-N-CA 124.797 1.239 . . . . 0.0 110.753 -178.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 28.2 pt20 -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.433 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.46 -48.38 11.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.674 0.749 . . . . 0.0 109.61 173.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.48 -37.86 80.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' O ' ' HG2' ' A' ' 57' ' ' MET . 58.9 t -55.32 -40.98 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.99 -42.46 94.51 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.172 0.511 . . . . 0.0 110.521 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -69.42 -32.64 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.6 0.714 . . . . 0.0 110.031 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 t -62.5 -39.05 82.99 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 C-N-CA 124.539 1.136 . . . . 0.0 110.557 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.3 mmt -66.41 -24.53 66.48 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.34 -60.84 2.21 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.519 0.676 . . . . 0.0 109.382 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 56' ' ' VAL . 6.6 p -56.52 -33.34 65.95 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.772 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.3 tp -49.41 -33.43 13.89 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.817 1.247 . . . . 0.0 110.921 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -114.34 -40.98 3.54 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.088 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.24 -28.18 69.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.57 -69.0 0.35 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.889 0.376 . . . . 0.0 110.637 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.18 37.13 91.32 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.089 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.41 -37.53 81.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 117.251 0.526 . . . . 0.0 111.038 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.49 87.42 0.06 OUTLIER Glycine 0 N--CA 1.411 -2.988 0 C-N-CA 118.944 -1.598 . . . . 0.0 114.309 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 65.76 -149.17 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.8 t -151.9 123.96 8.12 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.737 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 4.1 m-20 -126.87 -161.95 1.11 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -64.19 -22.64 67.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -72.77 -50.85 21.76 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.199 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 22.9 mp0 -63.88 -39.16 93.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -53.26 -62.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.125 178.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.427 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -60.21 -40.34 89.79 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.876 0.735 . . . . 0.0 111.116 -179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -57.26 -55.16 38.38 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 123.466 0.479 . . . . 0.0 111.879 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -64.38 -48.98 73.42 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.3 p -66.14 -34.5 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.427 ' HB3' ' HE3' ' A' ' 74' ' ' MET . . . -76.68 -51.07 12.2 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 119.384 -0.927 . . . . 0.0 111.315 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.4 ptt? -65.88 -23.96 66.76 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.34 -51.85 30.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.86 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -78.97 -27.17 43.44 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.4 p -98.5 -86.15 0.36 Allowed 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.096 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.05 6.84 1.03 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.604 1.561 . . . . 0.0 113.113 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.8 t -161.11 151.59 17.93 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -76.07 32.36 0.12 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.647 0.779 . . . . 0.0 111.694 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 . . . . . 0 C--N 1.297 -1.7 0 C-N-CA 123.633 0.773 . . . . 0.0 110.418 -174.697 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 121.359 0.599 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.412 -2.373 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -172.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.439 -1.002 0 CA-C-O 121.658 0.742 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -64.78 -33.82 76.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.003 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.28 -25.02 54.48 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.36 -49.84 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.97 -39.13 93.45 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.246 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.494 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -67.8 -44.61 76.94 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.915 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -64.97 -41.06 95.77 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.86 -35.53 61.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.473 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.19 93.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.339 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.494 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.9 mp -62.21 -49.28 76.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.499 0.666 . . . . 0.0 110.323 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.37 -35.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -173.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 25.1 t70 -71.14 -41.48 70.42 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 122.184 -0.323 . . . . 0.0 110.973 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.95 -37.68 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.473 ' CD1' ' HG ' ' B' ' 27' ' ' LEU . 2.3 m-30 -62.79 -37.65 87.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.188 0.518 . . . . 0.0 111.127 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' B' ' 20' ' ' ARG . 27.2 t60 -68.33 -42.38 79.43 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.79 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 77.1 mm-40 -55.47 -37.88 68.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -77.98 53.62 1.2 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m 67.39 13.71 9.43 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.617 1.167 . . . . 0.0 112.384 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.566 ' HA2' ' HB3' ' B' ' 23' ' ' ASP . . . -81.61 59.86 4.79 Favored Glycine 0 CA--C 1.499 -0.952 0 CA-C-O 121.608 0.56 . . . . 0.0 114.01 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.475 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -135.61 -31.22 0.96 Allowed 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.728 -0.736 . . . . 0.0 110.226 174.203 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -45.09 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 111.18 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.99 70.2 Favored Glycine 0 CA--C 1.491 -1.435 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.491 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.566 ' HB3' ' HA2' ' B' ' 19' ' ' GLY . 19.3 t70 -95.2 154.83 17.0 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -77.37 15.7 0.72 Allowed 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 124.78 1.232 . . . . 0.0 111.423 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.425 ' O ' ' HE3' ' B' ' 26' ' ' LYS . 25.2 m80 59.88 28.11 17.55 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.756 0.789 . . . . 0.0 109.486 -169.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 25' ' ' HIS . 7.8 mmpt? -150.47 108.7 3.76 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 -178.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' B' ' 14' ' ' PHE . 2.3 tm? -78.29 -34.77 48.66 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -158.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.424 ' HZ2' ' HB2' ' B' ' 28' ' ' LYS . 0.2 OUTLIER 75.19 136.73 0.06 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.687 -175.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.481 ' HB2' ' NZ ' ' B' ' 29' ' ' LYS . 8.3 mtmp? -64.78 -21.64 66.82 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.549 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.683 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 3.8 m -55.67 -49.08 73.9 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.742 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -81.82 -18.24 44.67 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 111.441 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.46 ' O ' HD12 ' B' ' 32' ' ' LEU . 2.8 tm? -60.9 -20.32 61.84 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.683 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.3 -37.28 64.62 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.985 0.914 . . . . 0.0 112.343 174.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.525 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 26.1 mt-10 -76.5 -34.86 58.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 177.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.09 -52.14 66.16 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 7.4 pt -64.36 -38.47 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.98 -41.31 36.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -100.5 -67.02 0.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -79.37 -5.71 55.18 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.419 ' HG ' HG22 ' B' ' 77' ' ' VAL . 4.8 tt -89.19 -42.49 11.62 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.1 m -142.72 137.45 29.84 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -80.75 -61.36 1.99 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -129.73 18.2 5.71 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.0 87.81 5.98 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -143.88 13.73 1.69 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -140.71 22.43 2.31 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -169.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.76 -63.93 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -147.62 -29.84 0.33 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.402 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -64.98 -23.94 67.37 Favored 'General case' 0 N--CA 1.421 -1.892 0 C-N-CA 124.776 1.23 . . . . 0.0 110.881 -178.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -56.38 -32.01 64.38 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.887 0.375 . . . . 0.0 111.687 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.46 -50.56 8.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.934 0.873 . . . . 0.0 109.689 172.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.408 HG12 HG21 ' B' ' 56' ' ' VAL . 24.2 t -64.78 -39.63 86.31 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' B' ' 57' ' ' MET . 70.0 t -54.82 -40.06 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.798 0.439 . . . . 0.0 112.147 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.58 -43.06 90.93 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.071 0.462 . . . . 0.0 110.722 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 26.2 mtpp -70.53 -31.11 68.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.838 0.828 . . . . 0.0 109.662 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.87 -39.48 85.18 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.692 0 C-N-CA 124.424 1.09 . . . . 0.0 110.705 173.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.58 -25.11 67.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.461 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 39.0 mt-10 -79.69 -61.22 2.06 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' VAL . 7.0 p -56.08 -33.66 65.26 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.061 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.6 tp -48.9 -34.89 13.62 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.052 1.341 . . . . 0.0 110.849 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -111.62 -42.37 3.86 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.248 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -61.31 -30.99 70.84 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.49 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.138 0.495 . . . . 0.0 110.508 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.66 30.97 76.25 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.21 -35.08 69.21 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.221 0.51 . . . . 0.0 112.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.64 87.47 0.06 OUTLIER Glycine 0 N--CA 1.414 -2.796 0 C-N-CA 118.974 -1.584 . . . . 0.0 114.226 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.12 -141.82 0.58 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' HZ ' ' B' ' 14' ' ' PHE . 41.1 t -153.3 123.64 7.09 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.64 176.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 4.2 m-20 -125.82 -163.75 1.24 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.95 1.406 . . . . 0.0 107.267 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.24 -23.55 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.82 -53.22 19.2 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.158 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.5 mp0 -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.54 ' O ' HG11 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -52.78 -61.89 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.085 179.25 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.43 ' HE3' ' HB3' ' B' ' 78' ' ' ALA . 0.4 OUTLIER -60.64 -39.78 89.56 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -57.33 -56.6 19.75 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.545 0.528 . . . . 0.0 111.649 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -63.65 -47.99 79.05 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.54 HG11 ' O ' ' B' ' 73' ' ' PHE . 8.2 p -66.89 -34.35 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.43 ' HB3' ' HE3' ' B' ' 74' ' ' MET . . . -76.97 -51.26 11.45 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.506 -0.877 . . . . 0.0 111.172 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.5 ptt? -65.67 -24.41 67.0 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.8 m -71.55 -50.59 38.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.936 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 69.9 m -79.87 -28.01 40.01 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -97.2 -85.27 0.36 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.9 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 57.56 14.44 2.32 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.505 1.522 . . . . 0.0 113.068 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' B' ' 86' ' ' GLU . 51.3 t -168.31 153.68 6.69 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -76.06 30.6 0.11 Allowed 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 123.888 0.875 . . . . 0.0 111.811 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 84' ' ' CYS . 8.0 tp10 . . . . . 0 C--N 1.293 -1.855 0 C-N-CA 123.199 0.599 . . . . 0.0 110.643 -173.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 73.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -80.71 -33.77 35.04 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.04 -39.34 90.07 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' HG2' ' ND1' ' B' ' 42' ' ' HIS . 1.4 tm-20 -56.44 -55.68 30.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.295 1.438 . . . . 0.0 108.494 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.09 -41.67 79.33 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.327 0.651 . . . . 0.0 111.955 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.407 ' HB3' ' HG ' ' B' ' 10' ' ' LEU . . . -59.09 -48.52 81.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.796 0.685 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.573 ' SD ' HG23 ' B' ' 77' ' ' VAL . 33.2 ttp -59.5 -46.6 88.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.773 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 4' ' ' GLU . 59.5 t -58.77 -45.58 91.19 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.904 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.882 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.26 79.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.863 0.363 . . . . 0.0 111.476 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.629 ' O ' HG13 ' A' ' 13' ' ' VAL . 94.1 mt -72.52 -43.16 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.046 0.451 . . . . 0.0 111.599 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.61 -32.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.178 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 30.3 t70 -72.53 -23.82 61.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.334 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 10' ' ' LEU . 6.2 p -69.78 -33.46 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.677 176.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -68.61 -40.04 80.56 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 13.7 t60 -55.26 -55.37 32.12 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.727 0.811 . . . . 0.0 110.458 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.1 mt-30 -57.24 -56.95 15.15 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.947 0.899 . . . . 0.0 112.303 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -93.54 16.23 14.16 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -49.86 108.8 0.23 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -88.42 88.36 1.54 Allowed Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 176.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' NE ' ' HG2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.82 -34.8 55.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -171.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG2' ' NE ' ' A' ' 20' ' ' ARG . 57.1 mm-40 -110.33 -67.98 0.96 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.25 -31.09 68.69 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 114.704 0.642 . . . . 0.0 114.704 -174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 4.3 m-20 -98.21 9.98 41.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 117.002 0.401 . . . . 0.0 111.892 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 65.79 25.12 11.37 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 121.953 0.882 . . . . 0.0 109.782 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 14.5 t-80 81.85 -9.4 1.23 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.348 1.859 . . . . 0.0 112.021 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -101.82 -139.13 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.55 127.77 30.06 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 172.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 10.7 ptmt -77.25 155.93 31.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-O 121.656 0.741 . . . . 0.0 111.296 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 26.3 ttpt -63.23 -30.33 71.5 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.594 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -67.27 -31.02 71.06 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.91 0.386 . . . . 0.0 110.023 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.48 -18.92 43.48 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.081 -0.387 . . . . 0.0 110.115 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.504 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.78 -29.47 69.45 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -55.92 -55.46 32.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.771 0.796 . . . . 0.0 110.16 174.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.55 -34.33 77.66 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.3 -52.64 64.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 32' ' ' LEU . 20.6 pt -65.94 -39.96 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.28 -36.36 63.57 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -110.01 -55.14 2.49 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.2 -18.17 59.19 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.43 0.692 . . . . 0.0 112.183 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 3.5 tt -100.83 -55.07 2.66 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -40.32 124.86 2.0 Allowed 'General case' 0 C--O 1.241 0.627 0 C-N-CA 125.533 1.533 . . . . 0.0 114.294 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.449 ' ND1' ' HG2' ' B' ' 4' ' ' GLU . 50.0 p-80 -171.9 118.39 0.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.462 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 43.85 73.71 0.14 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.943 1.297 . . . . 0.0 113.175 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.46 -176.09 2.89 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.469 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 72.36 19.1 4.42 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.857 1.663 . . . . 0.0 111.834 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -129.38 -15.42 4.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 81' ' ' THR . 56.4 mt -96.35 -84.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.535 -171.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.6 69.8 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -28.21 1.84 Allowed 'General case' 0 C--N 1.27 -2.873 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.152 -170.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -53.91 -36.33 62.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.7 -46.97 28.19 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.41 0.624 . . . . 0.0 109.453 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.75 -47.59 90.31 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.232 -173.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' A' ' 57' ' ' MET . 87.4 t -56.28 -45.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 123.557 0.536 . . . . 0.0 111.245 -176.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.65 -44.53 90.12 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -64.34 -37.47 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.465 . . . . 0.0 110.139 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.5 t -57.49 -53.28 46.28 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 124.516 1.126 . . . . 0.0 110.108 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.5 mmt -59.73 -37.37 78.73 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 123.317 0.386 . . . . 0.0 111.458 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.28 -61.52 2.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.966 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -61.98 -43.49 98.74 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.313 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.0 tp -52.37 -46.48 66.2 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 124.025 0.93 . . . . 0.0 111.483 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -88.32 -33.62 17.94 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.06 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -71.53 -31.0 66.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.55 -48.88 77.54 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.12 43.03 97.79 Favored Glycine 0 C--O 1.249 1.073 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -87.44 155.04 20.19 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 117.111 0.455 . . . . 0.0 110.821 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.73 -14.41 78.07 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.759 -0.655 . . . . 0.0 114.247 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 12.4 pt-20 -143.28 177.39 8.45 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.41 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.457 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 11.7 t -142.33 134.06 26.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 173.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -98.88 166.01 11.5 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.692 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -57.96 -32.18 67.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.186 0.517 . . . . 0.0 110.631 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -66.1 -38.56 88.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.764 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 45.4 mt-10 -69.25 -40.09 78.06 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.279 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' O ' HG11 ' A' ' 77' ' ' VAL . 5.2 m-85 -53.2 -53.19 54.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.5 0.5 . . . . 0.0 110.605 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.458 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -54.71 -48.9 71.92 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.004 0.815 . . . . 0.0 111.593 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -59.69 -53.48 57.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.685 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 79.8 m-85 -62.96 -46.46 87.61 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.594 HG23 ' SD ' ' B' ' 7' ' ' MET . 7.2 p -66.49 -46.71 85.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.482 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -73.86 -28.64 61.68 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.239 -0.985 . . . . 0.0 111.741 -175.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.1 ptt? -77.77 -23.59 49.18 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.011 -1.476 . . . . 0.0 111.853 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.3 -52.76 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.044 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 47' ' ' ILE . 22.9 m -86.04 -41.76 14.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 50.6 m -86.8 -39.76 15.6 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.682 -0.636 . . . . 0.0 112.43 -172.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.96 71.9 2.09 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.2 t -84.68 -47.6 10.31 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 103.751 -2.685 . . . . 0.0 103.751 168.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -150.25 167.3 27.35 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--N 1.3 -1.582 0 CA-C-N 119.05 0.841 . . . . 0.0 112.87 -175.35 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 N--CA 1.438 -1.043 0 CA-C-O 119.904 -0.093 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.508 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 47.4 mt-10 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 -164.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 16.9 m . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 120.942 0.401 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.91 -38.78 44.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.32 -37.92 89.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.456 ' HB3' ' O ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -58.01 -53.98 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 108.891 177.398 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -59.39 -41.11 88.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.287 0.635 . . . . 0.0 111.389 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.428 ' HB3' ' HG ' ' A' ' 10' ' ' LEU . . . -58.9 -48.21 82.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.594 ' SD ' HG23 ' A' ' 77' ' ' VAL . 34.0 ttp -59.62 -46.62 88.45 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.866 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.59 -48.62 86.7 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.921 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.234 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -34.07 70.53 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.773 0.321 . . . . 0.0 111.555 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.568 ' O ' HG11 ' B' ' 13' ' ' VAL . 92.9 mt -74.24 -45.13 49.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.948 0.404 . . . . 0.0 111.745 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 pt -74.84 -31.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.488 0.661 . . . . 0.0 110.967 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 33.8 t70 -73.01 -23.76 60.66 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.362 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.568 HG11 ' O ' ' B' ' 10' ' ' LEU . 9.7 p -70.94 -32.74 49.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.649 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.75 -35.52 77.21 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.508 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 15.3 t60 -59.68 -54.66 43.79 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.699 0.8 . . . . 0.0 110.998 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.595 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 79.3 mt-30 -60.93 -48.67 80.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.526 -178.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.36 27.47 6.21 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.831 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.4 p -60.98 105.15 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.27 89.66 1.39 Allowed Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -35.91 63.08 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 115.302 1.594 . . . . 0.0 115.302 -169.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -114.94 -52.08 2.71 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.11 -27.64 69.84 Favored Glycine 0 N--CA 1.461 0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.915 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.408 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 7.5 m-20 -101.13 9.47 41.97 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 122.841 -0.211 . . . . 0.0 110.674 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.7 tttt 64.03 26.44 14.05 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.111 0.958 . . . . 0.0 109.647 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 80.21 -6.86 1.69 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.85 2.06 . . . . 0.0 111.905 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -103.6 -138.65 0.35 Allowed 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -136.16 126.4 26.44 Favored 'General case' 0 CA--C 1.478 -1.823 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 172.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 10.9 ptmt -75.19 158.88 32.29 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.553 0.692 . . . . 0.0 111.56 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -63.78 -33.77 76.41 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.397 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.07 -30.3 71.24 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 121.542 0.687 . . . . 0.0 109.936 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.51 -18.6 41.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.543 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.494 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -63.05 -28.08 69.84 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -56.3 -56.49 20.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.671 0.748 . . . . 0.0 110.364 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.83 -34.57 78.68 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.94 -49.34 77.84 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.369 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.502 ' O ' ' HB3' ' B' ' 40' ' ' LEU . 21.2 pt -70.34 -37.82 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.07 -40.54 77.08 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -105.88 -52.13 2.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.97 -18.25 50.85 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.972 0.509 . . . . 0.0 112.356 -169.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 36' ' ' ILE . 3.6 tt -99.77 -55.33 2.68 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.3 t -41.71 128.52 3.31 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 125.084 1.354 . . . . 0.0 114.578 -170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.482 ' ND1' ' HG2' ' A' ' 4' ' ' GLU . 54.3 p-80 -173.17 120.81 0.36 Allowed 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.955 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 40.94 73.38 0.13 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.962 1.305 . . . . 0.0 113.526 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 98.7 mt -109.59 -174.01 2.4 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.432 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 74.28 11.0 4.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.736 1.614 . . . . 0.0 111.574 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -121.54 -17.82 7.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.836 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.423 HG23 ' O ' ' B' ' 81' ' ' THR . 54.9 mt -93.74 -85.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.353 -172.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.43 68.68 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -21.78 2.74 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.329 -172.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -56.18 -33.11 64.96 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.43 -51.24 10.33 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.2 -47.75 90.89 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.162 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.602 -172.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.525 ' O ' ' HG2' ' B' ' 57' ' ' MET . 94.8 t -56.67 -43.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 O-C-N 123.406 0.441 . . . . 0.0 111.766 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.54 -39.53 77.41 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -66.32 -37.85 86.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 3.6 t -57.16 -54.74 26.4 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 C-N-CA 124.502 1.121 . . . . 0.0 110.111 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.5 mmt -59.0 -36.36 74.79 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 123.252 0.345 . . . . 0.0 111.467 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.65 -61.85 1.85 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -64.0 -42.48 97.17 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.6 tp -51.67 -51.02 59.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.797 0.839 . . . . 0.0 110.98 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.05 -37.91 28.27 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.093 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.04 -35.26 76.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.55 -45.84 90.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.0 56.72 21.71 Favored Glycine 0 CA--C 1.502 -0.773 0 CA-C-N 114.542 -1.208 . . . . 0.0 114.465 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -98.01 152.08 19.65 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.3 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.69 -20.2 67.96 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 114.958 0.743 . . . . 0.0 114.958 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 10.1 pt-20 -139.89 173.36 11.61 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 117.912 0.856 . . . . 0.0 112.202 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.491 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.5 t -139.34 131.36 27.9 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 105.607 -1.998 . . . . 0.0 105.607 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -97.73 169.13 9.89 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.169 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -59.64 -31.6 69.66 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.121 0.486 . . . . 0.0 111.044 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -66.5 -36.33 82.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.628 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.51 ' O ' ' HD2' ' B' ' 76' ' ' PHE . 44.3 mt-10 -71.25 -40.76 70.8 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.73 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.608 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.3 m-85 -53.18 -54.49 35.13 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.395 0.435 . . . . 0.0 110.754 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.411 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.23 -48.5 71.01 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 124.008 0.817 . . . . 0.0 111.951 178.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -59.48 -53.52 57.17 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.618 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.51 ' HD2' ' O ' ' B' ' 72' ' ' GLU . 81.0 m-85 -62.78 -46.9 85.83 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.608 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.2 p -66.13 -47.19 85.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.686 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.6 ptt? -76.51 -23.48 53.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.293 -1.363 . . . . 0.0 111.961 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 m -82.41 -52.53 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.423 ' O ' HG23 ' B' ' 47' ' ' ILE . 22.3 m -85.87 -40.81 15.56 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 61.3 m -89.0 -38.64 14.28 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.52 -0.738 . . . . 0.0 112.477 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.45 75.59 1.93 Allowed 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 42.2 t -90.32 -44.92 9.37 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.0 -2.593 . . . . 0.0 104.0 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -155.01 166.65 32.91 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 102.797 -3.038 . . . . 0.0 102.797 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.297 -1.707 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.567 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 m . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.171 0.51 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.79 -28.42 24.52 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 40' ' ' LEU . 2.7 tm? -69.12 -40.89 78.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.182 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.1 pt-20 -56.69 -44.11 81.17 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.4 -45.84 92.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.782 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.02 96.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.432 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.584 ' SD ' HG23 ' B' ' 77' ' ' VAL . 57.0 ttp -65.26 -43.35 91.59 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 120.939 0.399 . . . . 0.0 110.753 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 4' ' ' GLU . 78.0 t -60.85 -45.37 98.19 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.051 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -57.45 -52.18 66.43 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 122.814 0.446 . . . . 0.0 111.449 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -56.49 -47.9 78.29 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.258 0.551 . . . . 0.0 111.536 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.11 -41.9 67.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.315 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 17.6 t70 -76.85 -25.28 52.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 9' ' ' ALA . 71.3 t -66.05 -36.44 77.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.835 174.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -72.17 -23.71 61.32 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.216 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 50.3 t60 -65.77 -40.63 92.2 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 121.368 0.604 . . . . 0.0 109.845 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -68.24 -15.27 63.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.224 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.71 146.69 29.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.511 0.672 . . . . 0.0 109.703 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 m -87.7 6.88 32.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.169 0.509 . . . . 0.0 111.725 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 50.68 0.75 Allowed Glycine 0 C--O 1.198 -2.149 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.398 -178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 -41.65 2.4 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.512 172.778 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.24 -39.29 15.56 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.84 -29.31 74.48 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.224 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 25' ' ' HIS . 6.7 t70 -100.21 -165.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' H ' ' CG ' ' A' ' 23' ' ' ASP . 55.1 tttm -81.71 28.38 0.41 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.017 1.727 . . . . 0.0 109.785 -175.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 24.7 m-70 71.75 8.45 6.11 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.254 1.421 . . . . 0.0 109.927 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -125.97 169.0 13.15 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.99 -17.28 13.63 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' C ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 mptt 74.05 132.49 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.134 1.374 . . . . 0.0 108.265 -168.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 85.0 mttt -63.68 -24.2 67.69 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.146 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 27.3 t -56.4 -41.66 76.66 Favored 'General case' 0 C--O 1.199 -1.564 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.8 -17.35 59.08 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 121.377 -0.827 . . . . 0.0 113.057 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.87 -26.18 67.99 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HB2' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -61.09 -31.2 70.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.075 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -79.69 -33.15 41.34 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 0.0 109.981 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.48 -54.36 37.59 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.285 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 32' ' ' LEU . 11.9 pt -63.2 -34.59 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.86 -30.38 70.09 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.696 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -102.91 -57.8 1.98 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -82.82 -11.19 58.44 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD21 ' OG1' ' A' ' 81' ' ' THR . 1.4 tt -78.59 -39.44 37.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.887 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -31.65 97.58 0.01 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.373 1.869 . . . . 0.0 114.89 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.445 ' HD2' ' OE1' ' B' ' 4' ' ' GLU . 48.3 t-80 -140.89 82.54 1.85 Allowed 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.554 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 54.31 73.8 0.37 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.334 1.021 . . . . 0.0 110.441 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.435 HD11 ' OE1' ' A' ' 49' ' ' GLU . 2.4 mm? -60.07 -31.85 70.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.962 -172.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -69.26 -26.19 64.65 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.086 0.47 . . . . 0.0 111.427 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -88.06 -19.47 27.05 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 121.049 0.452 . . . . 0.0 112.148 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -104.44 179.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.134 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -77.35 -81.22 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 53' ' ' VAL . 62.8 mt-10 58.27 -67.84 0.03 OUTLIER 'General case' 0 C--O 1.193 -1.887 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -50.62 -39.19 49.65 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -163.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.93 -35.09 64.57 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.62 0.724 . . . . 0.0 109.676 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -86.91 -31.25 6.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.121 -171.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.56 ' O ' ' HG2' ' A' ' 57' ' ' MET . 86.4 t -54.21 -53.78 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.232 0.613 . . . . 0.0 111.443 -175.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.6 -41.29 97.22 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 123.503 0.502 . . . . 0.0 111.189 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -66.12 -42.42 89.2 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -58.21 -49.5 81.51 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.213 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.866 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -58.11 -39.78 79.54 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.56 -52.22 58.77 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.247 0.546 . . . . 0.0 110.64 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.2 p -70.41 -44.55 67.69 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 23.7 tp -56.63 -49.2 75.69 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 124.12 0.968 . . . . 0.0 110.751 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.64 -35.62 67.82 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.587 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -80.14 -41.34 25.58 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.28 -48.07 45.28 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -81.46 62.68 4.46 Favored Glycine 0 CA--C 1.498 -1.029 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.5 -176.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.71 -37.05 85.35 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 124.386 1.074 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' HA2' ' HE3' ' A' ' 28' ' ' LYS . . . -131.78 -32.52 0.46 Allowed Glycine 0 N--CA 1.431 -1.654 0 C-N-CA 120.031 -1.08 . . . . 0.0 114.219 -177.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 6.6 mm-40 -114.49 149.1 36.89 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.123 -171.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.543 ' HB2' ' C ' ' A' ' 28' ' ' LYS . 45.4 t -149.25 123.23 9.39 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.6 -176.73 3.03 Favored 'General case' 0 C--N 1.283 -2.315 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 2.1 p90 -75.73 -17.68 59.84 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.214 0.53 . . . . 0.0 111.905 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -77.15 -38.38 51.99 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.043 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 2.4 mp0 -71.84 -29.58 64.55 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -55.55 -54.23 46.65 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -47.45 85.66 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.474 0.654 . . . . 0.0 111.34 175.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.91 10.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.253 74.8 m-85 -66.25 -37.65 86.0 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -174.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.593 HG23 ' SD ' ' B' ' 7' ' ' MET . 4.7 p -64.87 -47.63 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.346 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.11 76.75 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.61 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 27.1 ptm -79.36 -23.25 43.49 Favored 'General case' 0 C--O 1.196 -1.726 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.33 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.16 -37.75 13.22 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.963 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.539 ' OG1' HD21 ' A' ' 40' ' ' LEU . 94.5 m -74.55 -59.25 2.81 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.145 0.578 . . . . 0.0 112.221 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 m -86.45 -60.66 1.93 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -173.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.61 ' HB1' ' O ' ' A' ' 79' ' ' MET . . . 58.59 128.2 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.5 t 68.85 -46.32 0.55 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.851 1.661 . . . . 0.0 113.351 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.7 85.32 2.32 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 123.538 0.735 . . . . 0.0 109.562 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--N 1.303 -1.438 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.406 -178.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 117.48 -1.248 . . . . 0.0 111.597 -172.22 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' B' ' 4' ' ' GLU . 26.9 m . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.119 0.485 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -85.03 -27.66 26.24 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 40' ' ' LEU . 2.6 tm? -67.68 -41.02 84.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.303 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' B' ' 1' ' ' SER . 15.3 pt-20 -58.38 -42.15 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -62.52 -44.76 95.58 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.975 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.83 92.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.201 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.593 ' SD ' HG23 ' A' ' 77' ' ' VAL . 57.7 ttp -64.22 -44.13 92.84 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.003 0.43 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.56 -43.85 95.41 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.618 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.24 -53.05 62.51 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.286 0.366 . . . . 0.0 111.526 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.56 -47.11 80.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.244 0.545 . . . . 0.0 111.487 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.97 -42.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.225 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 19.2 t70 -76.98 -22.71 52.75 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 63.3 t -67.87 -37.38 78.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 121.659 -0.651 . . . . 0.0 109.591 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -71.68 -26.79 62.66 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.947 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 69.3 t60 -62.25 -43.47 98.76 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 121.348 0.594 . . . . 0.0 109.915 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.18 -22.71 67.04 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.885 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.18 144.66 40.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.18 0.514 . . . . 0.0 110.829 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -79.22 2.35 21.46 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.16 58.11 0.42 Allowed Glycine 0 C--O 1.198 -2.14 0 C-N-CA 119.637 -1.268 . . . . 0.0 114.089 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.56 ' O ' ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -127.1 -46.16 1.53 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.248 172.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.36 -40.77 20.89 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.77 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.918 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' B' ' 25' ' ' HIS . 6.3 t70 -94.36 -163.71 1.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' B' ' 24' ' ' LYS . 58.1 tttm -83.45 29.74 0.5 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.891 1.676 . . . . 0.0 109.122 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.56 ' HA ' ' O ' ' B' ' 20' ' ' ARG . 31.8 m-70 70.48 7.37 6.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.91 1.284 . . . . 0.0 109.906 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -123.78 172.27 8.99 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.44 -18.54 12.42 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.511 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.7 mptt 73.53 131.82 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.17 1.388 . . . . 0.0 108.175 -168.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 81.3 mttt -63.68 -22.55 66.96 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.176 -0.328 . . . . 0.0 111.173 -176.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 34.0 t -56.93 -43.56 81.6 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.14 -17.15 60.46 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.464 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.43 -26.31 68.43 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 172.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.597 ' HB2' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -60.99 -34.16 74.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 174.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -74.13 -38.42 63.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.494 0.664 . . . . 0.0 109.476 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.38 -54.36 46.55 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.776 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.7 pt -64.04 -32.1 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.41 -31.44 67.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.325 0.583 . . . . 0.0 110.836 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -106.56 -60.66 1.63 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -78.19 -8.69 58.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.514 HD21 ' OG1' ' B' ' 81' ' ' THR . 1.5 tt -80.74 -38.06 29.4 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.962 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -31.51 93.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.649 1.98 . . . . 0.0 115.251 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -139.49 80.23 1.76 Allowed 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.804 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 57.22 74.71 0.4 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.429 1.091 . . . . 0.0 111.089 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.457 HD11 ' OE1' ' B' ' 49' ' ' GLU . 2.3 mm? -60.7 -35.66 76.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.537 -172.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -20.34 64.99 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.485 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.15 3.28 40.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.852 -173.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 pt -126.68 173.07 13.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.092 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -72.41 -78.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.457 ' OE1' HD11 ' B' ' 44' ' ' LEU . 60.0 mt-10 54.02 -71.59 0.01 OUTLIER 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 177.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.13 -41.06 25.58 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -163.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.97 -38.9 76.2 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.958 0.885 . . . . 0.0 109.994 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -84.4 -30.21 7.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.946 -171.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' B' ' 57' ' ' MET . 86.6 t -54.27 -53.09 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.264 0.625 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 31.4 m-20 -65.58 -37.5 86.84 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.026 -176.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.39 -39.77 81.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.386 0.612 . . . . 0.0 109.702 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.66 -49.66 82.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.192 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.555 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.597 ' SD ' ' HB2' ' B' ' 33' ' ' LYS . 24.2 mmt -58.09 -38.34 76.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 42.6 mt-10 -63.46 -54.75 31.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 110.388 177.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 14.9 p -69.65 -45.56 68.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 21.8 tp -55.95 -47.13 78.15 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.237 1.015 . . . . 0.0 110.747 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.16 -36.97 64.14 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.499 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -78.06 -43.05 30.33 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.98 0.419 . . . . 0.0 112.025 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.2 -41.08 58.64 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.851 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -84.9 60.74 4.77 Favored Glycine 0 CA--C 1.495 -1.165 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.815 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.11 -37.99 89.24 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 124.472 1.109 . . . . 0.0 111.061 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.19 -29.07 0.52 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.031 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 9.3 mm-40 -114.86 148.21 38.86 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -171.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.511 ' HB2' ' C ' ' B' ' 28' ' ' LYS . 42.1 t -150.81 123.17 8.39 Favored 'General case' 0 CA--C 1.476 -1.901 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 162.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.64 -174.63 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' B' ' 73' ' ' PHE . 3.0 p90 -77.08 -17.65 58.56 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.91 -36.32 56.73 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.745 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.95 -30.06 62.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.547 ' O ' HG13 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -55.8 -52.76 62.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.452 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -48.01 83.44 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.414 0.626 . . . . 0.0 111.353 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -59.48 -55.93 28.36 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -174.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.268 74.0 m-85 -67.4 -36.65 81.72 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -174.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.584 HG23 ' SD ' ' A' ' 7' ' ' MET . 4.6 p -65.87 -46.69 87.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.213 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.17 78.42 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.605 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 26.6 ptm -78.9 -23.08 45.0 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.497 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.98 -38.7 14.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 118.048 -1.461 . . . . 0.0 109.904 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.514 ' OG1' HD21 ' B' ' 40' ' ' LEU . 91.8 m -74.32 -59.41 2.74 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 123.03 0.532 . . . . 0.0 112.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.2 m -85.32 -63.5 1.32 Allowed 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.887 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' B' ' 79' ' ' MET . . . 60.96 127.7 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.5 t 69.15 -45.02 0.55 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.945 1.698 . . . . 0.0 113.307 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.94 80.66 1.67 Allowed 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 123.609 0.763 . . . . 0.0 110.213 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--N 1.312 -1.054 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.362 -179.314 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' B' ' 39' ' ' GLU . 16.2 m . . . . . 0 C--O 1.257 1.462 0 CA-C-O 121.581 0.705 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.74 -44.93 70.33 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 125.336 1.455 . . . . 0.0 112.004 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.53 -28.64 68.71 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.79 -58.92 6.13 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.398 0.436 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -25.33 67.08 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.49 -55.62 5.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttp -68.52 -34.61 76.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -66.13 -30.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.04 71.87 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.602 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.93 -34.59 78.47 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.426 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 70.7 mt -71.76 -41.22 70.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.281 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 30.1 t70 -64.37 -29.71 70.77 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.97 0.891 . . . . 0.0 110.295 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.89 -35.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 13.4 m-85 -80.52 -9.37 59.77 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.814 0.816 . . . . 0.0 109.702 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.593 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 17.7 t60 -83.03 -43.46 16.31 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.509 ' HA ' HE21 ' A' ' 16' ' ' GLN . 0.0 OUTLIER -76.27 -46.44 27.98 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.483 179.406 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -96.33 126.06 41.27 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -151.39 106.74 3.33 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 121.379 0.609 . . . . 0.0 111.553 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.93 53.77 1.91 Allowed Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.4 ptt180 -59.37 -52.44 65.6 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.437 -0.881 . . . . 0.0 113.118 -173.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.552 ' OE1' ' HG3' ' A' ' 20' ' ' ARG . 8.5 mp0 -90.01 -50.82 5.8 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.187 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.04 -44.35 67.68 Favored Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -171.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -101.18 34.66 2.46 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 112.045 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 61.69 33.31 18.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 111.415 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 41.2 t-80 82.94 -1.95 1.26 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.764 1.626 . . . . 0.0 113.295 174.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -120.91 -171.4 2.18 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.871 -0.518 . . . . 0.0 110.292 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.96 -35.42 13.31 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -171.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 63.99 174.67 0.18 Allowed 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.904 0.859 . . . . 0.0 110.754 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.39 -19.05 59.77 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.929 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 4.7 m -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.26 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.09 -18.4 37.0 Favored 'General case' 0 CA--C 1.502 -0.868 0 C-N-CA 118.433 -1.307 . . . . 0.0 112.081 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.2 tm? -62.76 -26.99 68.98 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 30' ' ' SER . 4.2 ttmm -56.63 -55.49 33.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.47 1.108 . . . . 0.0 110.787 173.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.92 -27.71 68.39 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.243 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.3 tp -66.05 -58.38 5.62 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.85 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 40' ' ' LEU . 10.2 pt -55.66 -41.1 63.37 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 123.604 0.762 . . . . 0.0 113.024 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -73.58 -33.26 64.55 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -117.21 -78.41 0.58 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -76.96 -12.09 59.9 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.546 0.689 . . . . 0.0 112.691 -169.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 36' ' ' ILE . 8.0 tt -78.35 -42.43 30.55 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.006 0.431 . . . . 0.0 110.279 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 69.3 p -135.01 -166.28 1.8 Allowed 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.942 -166.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -99.58 -47.56 5.06 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 170.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -167.38 -55.92 0.03 OUTLIER 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.233 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 41' ' ' SER . 3.0 mm? 68.79 127.75 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.92 1.288 . . . . 0.0 111.569 -173.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -122.63 -86.6 0.65 Allowed 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -169.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -138.54 40.47 2.22 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.174 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -88.35 -49.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 120.74 0.305 . . . . 0.0 111.078 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -174.15 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -51.3 -31.23 20.71 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 126.909 2.084 . . . . 0.0 113.68 175.297 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -48.01 -35.32 10.81 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.433 1.093 . . . . 0.0 112.484 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -43.77 69.24 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 79' ' ' MET . 22.1 t -81.71 -30.22 10.46 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.493 -174.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 56' ' ' VAL . 77.1 t -60.63 -40.9 86.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.006 0.432 . . . . 0.0 110.742 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.22 -42.63 83.74 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.488 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.67 -33.39 75.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.304 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.666 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.4 p -70.49 -35.29 61.18 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.1 mmt -67.47 -39.23 85.26 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.84 -55.22 20.84 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -63.13 -39.07 93.61 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.0 0.52 . . . . 0.0 111.28 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.666 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 4.9 tp -51.78 -51.21 58.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.249 1.02 . . . . 0.0 109.794 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -72.23 -38.48 68.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.763 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.88 -59.95 3.88 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.076 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.34 -51.86 13.9 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.414 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.68 -86.68 0.07 OUTLIER Glycine 0 C--O 1.258 1.623 0 O-C-N 123.88 0.738 . . . . 0.0 113.829 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.98 172.28 8.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.63 0.772 . . . . 0.0 109.273 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.51 96.8 2.43 Favored Glycine 1 N--CA 1.394 -4.143 0 N-CA-C 104.45 -3.46 . . . . 0.0 104.45 -169.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.24 101.27 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.284 1.226 . . . . 0.0 111.167 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 t -79.99 122.93 27.34 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -140.6 -159.83 1.0 Allowed 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -51.01 -32.74 22.29 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -72.11 -55.18 7.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.226 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 50.4 mt-10 -68.26 -33.22 73.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.544 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.604 ' O ' HG13 ' A' ' 77' ' ' VAL . 8.4 m-85 -54.05 -55.53 26.56 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.325 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.9 99.44 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.308 0.38 . . . . 0.0 111.169 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.67 85.8 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.538 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 32.7 m-85 -76.01 -45.17 35.9 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 73' ' ' PHE . 5.8 p -62.94 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.466 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -71.57 -24.33 61.9 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.587 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.592 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 22.3 ptt? -85.12 -29.66 24.65 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.398 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.98 -43.13 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.716 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.53 -57.71 3.03 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.397 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 24.1 m -81.63 -68.2 0.71 Allowed 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.491 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 79' ' ' MET . . . 58.91 -84.76 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.819 1.248 . . . . 0.0 111.711 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.72 118.3 15.92 Favored 'General case' 0 N--CA 1.414 -2.255 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.7 m80 56.06 89.52 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--N 1.318 -0.794 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 169.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.237 0.413 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -169.432 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.432 ' HB2' ' HG3' ' B' ' 4' ' ' GLU . 12.9 m . . . . . 0 C--O 1.265 1.89 0 CA-C-O 121.292 0.568 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.53 -43.68 75.97 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.279 1.031 . . . . 0.0 111.998 -172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 mm? -66.74 -29.29 69.22 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' B' ' 1' ' ' SER . 50.7 mt-10 -60.19 -58.99 6.17 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 123.475 0.484 . . . . 0.0 110.36 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -24.61 67.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.434 -175.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.16 -55.13 5.7 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.266 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttp -68.72 -34.98 76.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.76 -30.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.1 71.49 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.407 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.22 -34.68 78.57 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -72.2 -41.65 66.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.079 176.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.568 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 32.7 t70 -65.65 -25.52 67.39 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 122.046 0.927 . . . . 0.0 110.309 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.7 -34.82 72.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.574 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -78.77 -13.33 59.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.146 0.974 . . . . 0.0 109.001 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 24.9 t60 -77.76 -44.5 27.49 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.792 -1.094 . . . . 0.0 108.582 175.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.56 HE21 ' HA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -75.11 -48.23 24.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.95 121.66 35.64 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -143.17 113.75 7.47 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.376 0.608 . . . . 0.0 110.991 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.67 47.8 1.07 Allowed Glycine 0 CA--C 1.495 -1.209 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' B' ' 25' ' ' HIS . 7.8 ptt180 -54.39 -50.68 66.97 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.506 1.122 . . . . 0.0 112.974 -174.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.435 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 2.0 mp0 -92.05 -56.07 3.21 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.005 0.431 . . . . 0.0 111.604 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.96 80.58 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 115.6 1.0 . . . . 0.0 115.6 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.59 32.74 2.46 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.566 0.698 . . . . 0.0 112.183 -173.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 61.88 37.37 15.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.467 1.107 . . . . 0.0 111.44 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.475 ' HA ' ' HA ' ' B' ' 20' ' ' ARG . 32.4 t-80 79.74 -1.26 2.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.272 1.429 . . . . 0.0 113.138 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -124.22 -173.78 2.85 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.961 -0.462 . . . . 0.0 110.258 178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.84 -36.72 14.05 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -170.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 64.38 175.25 0.19 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.881 0.848 . . . . 0.0 110.856 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.54 -19.19 59.49 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.166 174.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 11.7 m -63.54 -36.61 84.35 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.516 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.13 -18.78 33.16 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.32 -1.352 . . . . 0.0 112.126 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.423 ' O ' HD12 ' B' ' 32' ' ' LEU . 2.1 tm? -63.8 -27.8 69.43 Favored 'General case' 0 CA--C 1.563 1.465 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 30' ' ' SER . 4.2 ttmm -55.67 -55.76 28.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.737 1.215 . . . . 0.0 110.487 174.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.3 -28.69 69.49 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.411 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' B' ' 40' ' ' LEU . 29.7 tp -66.09 -57.65 7.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.842 177.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 40' ' ' LEU . 8.3 pt -55.09 -40.09 53.23 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 123.35 0.66 . . . . 0.0 112.636 -177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -75.34 -36.95 60.94 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.938 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -110.29 -77.52 0.59 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -170.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 1' ' ' SER . 11.6 tp10 -83.18 -11.43 57.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -168.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 36' ' ' ILE . 8.0 tt -78.26 -45.89 21.68 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.205 0.526 . . . . 0.0 109.992 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' B' ' 44' ' ' LEU . 69.4 p -132.99 -168.77 2.13 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.065 -168.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -94.35 -57.68 2.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -157.78 -59.42 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.972 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' B' ' 41' ' ' SER 0.268 3.2 mm? 73.41 127.88 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.71 1.604 . . . . 0.0 111.406 -174.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -125.93 -85.1 0.63 Allowed 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -167.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.06 41.23 2.29 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.432 -171.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.92 -53.69 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 122.026 -0.421 . . . . 0.0 111.133 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -172.27 -44.76 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.446 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -49.17 -32.25 9.88 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 126.935 2.094 . . . . 0.0 113.974 173.383 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -47.63 -34.44 7.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.695 1.198 . . . . 0.0 112.699 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.12 -45.46 63.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 79' ' ' MET . 22.0 t -79.37 -30.8 14.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.412 -174.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.592 ' O ' HG12 ' B' ' 56' ' ' VAL . 92.5 t -60.46 -42.43 91.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.959 0.409 . . . . 0.0 110.508 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.27 -40.18 93.58 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.802 0.811 . . . . 0.0 109.517 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -69.28 -32.76 72.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.113 -0.949 . . . . 0.0 113.358 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.686 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.3 p -70.47 -34.08 56.27 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.568 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.6 mmt -68.54 -39.55 81.07 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.72 -56.21 17.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.526 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.3 p -63.48 -38.93 93.01 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.805 0.442 . . . . 0.0 111.668 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.686 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 4.9 tp -50.74 -51.45 50.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.168 0.987 . . . . 0.0 109.658 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.0 -41.67 70.64 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 113.791 -1.55 . . . . 0.0 112.192 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.27 -58.32 6.87 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.95 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.78 -53.68 9.74 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.037 -174.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -85.82 0.07 OUTLIER Glycine 0 C--O 1.26 1.762 0 CA-C-N 115.683 -0.689 . . . . 0.0 113.816 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.33 168.74 10.06 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.394 1.078 . . . . 0.0 109.578 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.89 96.3 2.44 Favored Glycine 0 N--CA 1.402 -3.617 0 N-CA-C 104.945 -3.262 . . . . 0.0 104.945 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.28 101.74 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.46 1.33 . . . . 0.0 111.156 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 t -80.42 119.88 23.7 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.43 -159.85 1.0 Allowed 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.54 -35.49 41.04 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -68.47 -51.58 41.91 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.3 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.477 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 50.8 mt-10 -71.02 -34.35 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.163 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.609 ' O ' HG13 ' B' ' 77' ' ' VAL . 8.4 m-85 -54.38 -53.27 56.23 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.28 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -43.05 99.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.471 0.482 . . . . 0.0 111.377 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.0 71.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.057 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.477 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 32.1 m-85 -68.93 -43.73 74.52 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.609 HG13 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -64.78 -45.36 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.932 0.396 . . . . 0.0 111.982 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.438 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -71.83 -26.59 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.639 -176.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.589 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 23.1 ptt? -81.86 -32.53 31.05 Favored 'General case' 0 C--O 1.205 -1.287 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.262 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.81 -43.65 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.22 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 57.5 m -84.27 -55.74 4.02 Favored 'General case' 0 N--CA 1.423 -1.822 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.366 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.492 ' HA ' ' HG3' ' B' ' 86' ' ' GLU . 17.8 m -83.27 -69.49 0.63 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.788 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' B' ' 79' ' ' MET . . . 58.24 -87.4 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.4 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 m -133.43 119.5 19.69 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 m80 57.17 89.45 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.492 ' HG3' ' HA ' ' B' ' 82' ' ' THR . 75.1 mm-40 . . . . . 0 C--N 1.315 -0.934 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 169.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.494 ' HA ' ' OE2' ' A' ' 4' ' ' GLU . 35.9 p . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 120.591 0.234 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.92 -45.59 67.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.92 0.39 . . . . 0.0 110.161 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.426 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 3.4 tm? -76.43 -34.14 58.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' OE2' ' HA ' ' A' ' 1' ' ' SER . 43.3 mt-10 -54.02 -41.97 68.61 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 124.069 0.856 . . . . 0.0 109.315 177.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.49 -55.33 9.21 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.589 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.53 66.79 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.4 ttp -67.83 -37.2 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.082 0.468 . . . . 0.0 111.167 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.97 -39.04 76.97 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.007 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.88 88.16 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.55 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.26 4.4 pp -66.72 -31.34 71.94 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.3 pt -84.21 -25.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.52 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.77 -39.05 24.7 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.714 -176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.82 -31.36 53.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.27 -53.65 52.1 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -58.59 -52.76 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.956 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -78.63 -9.06 59.24 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.22 -33.7 61.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.052 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -150.5 90.53 1.65 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.28 -35.34 23.81 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.971 -172.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.489 ' HG3' ' OE2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -64.33 -27.23 68.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.858 0.829 . . . . 0.0 111.162 -175.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.489 ' OE2' ' HG3' ' A' ' 20' ' ' ARG . 1.1 pm0 -97.56 -54.12 3.23 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.68 -45.51 78.07 Favored Glycine 0 C--N 1.314 -0.64 0 O-C-N 124.22 0.95 . . . . 0.0 114.755 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -20.61 66.07 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.455 0.645 . . . . 0.0 111.421 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -99.62 -45.46 5.77 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.871 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -150.36 40.52 0.77 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.887 -173.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.44 -170.39 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.366 0.603 . . . . 0.0 110.086 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -115.51 138.27 51.2 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -75.32 155.02 37.02 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.314 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 63.0 mttp -57.63 -25.35 60.01 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -176.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.586 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 1.5 m -63.07 -25.64 68.46 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 122.861 0.464 . . . . 0.0 110.578 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.53 -28.23 26.82 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.865 0.84 . . . . 0.0 109.169 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.2 tm? -64.14 -27.75 69.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.053 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -52.33 -45.86 65.82 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 124.854 1.262 . . . . 0.0 111.816 175.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.8 mt-10 -77.28 -33.5 55.79 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.279 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' HG ' HD13 ' A' ' 40' ' ' LEU . 37.6 tp -66.16 -33.03 74.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 7.6 pt -73.44 -38.34 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 176.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.59 -30.81 70.91 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 123.673 0.608 . . . . 0.0 111.414 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.46 -55.58 2.37 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -173.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -102.82 -50.85 3.43 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.472 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.607 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.7 mp -63.81 -35.36 80.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -125.54 102.21 7.27 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -110.26 20.37 17.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 79.2 m-85 -119.61 -60.13 1.75 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.623 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp 65.2 -59.24 0.27 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.565 1.546 . . . . 0.0 114.811 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.92 -23.73 44.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.371 0.605 . . . . 0.0 111.81 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 21.7 mm-40 -83.2 -168.74 2.21 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.438 HG23 ' HA ' ' A' ' 81' ' ' THR . 3.3 mt 59.68 -144.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -169.98 83.58 0.11 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 53' ' ' VAL . 7.1 pt-20 -146.15 7.36 1.03 Allowed 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.829 -170.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.89 -28.61 69.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -74.78 -50.98 15.33 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.406 HG22 ' SG ' ' A' ' 84' ' ' CYS . 48.1 t -64.25 -39.81 86.83 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.738 -175.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 57' ' ' MET . 74.2 t -57.19 -40.41 73.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 O-C-N 123.423 0.452 . . . . 0.0 111.529 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.74 -43.3 76.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.824 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.03 -36.52 84.25 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.964 0.888 . . . . 0.0 109.952 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.58 -44.75 97.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.91 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.137 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.482 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.5 mmt -63.74 -22.6 66.99 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -76.66 -59.16 2.89 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.781 0.801 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 p -64.75 -41.6 95.79 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.804 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 18.4 tp -59.31 -39.7 83.87 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 123.249 0.62 . . . . 0.0 110.335 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.16 -47.61 56.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.704 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -54.98 14.86 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.005 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.13 -14.54 61.4 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.05 51.93 3.25 Favored Glycine 0 C--N 1.301 -1.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.157 175.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.47 -36.54 26.41 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 120.972 0.415 . . . . 0.0 111.019 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.34 -62.3 0.12 Allowed Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.164 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.42 -179.24 6.29 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.333 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -125.75 122.74 37.11 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' HB3' ' HG3' ' A' ' 72' ' ' GLU . 17.5 t70 -80.78 162.07 24.22 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -60.34 -31.06 69.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.473 0.654 . . . . 0.0 110.484 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.27 -36.9 74.71 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.049 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 55.2 mt-10 -72.2 -26.91 62.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.363 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 77' ' ' VAL . 4.6 t80 -56.08 -58.86 6.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.432 ' HE3' ' HB1' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -62.76 -41.54 99.27 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.014 -179.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.25 -55.09 37.53 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -65.74 -41.63 91.93 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 73' ' ' PHE . 14.9 p -74.48 -40.34 48.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.083 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.432 ' HB1' ' HE3' ' A' ' 74' ' ' MET . . . -72.89 -26.81 61.57 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 121.707 -0.62 . . . . 0.0 111.138 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -79.67 -26.77 40.89 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.053 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.51 -53.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.553 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.438 ' HA ' HG23 ' A' ' 47' ' ' ILE . 55.5 m -82.95 -38.43 22.75 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 m -99.47 -50.12 4.2 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.55 -24.65 57.31 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -173.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 52' ' ' VAL . 65.8 m -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -132.79 -21.4 2.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.091 -0.381 . . . . 0.0 111.013 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 CA--C 1.512 -0.5 0 C-N-CA 124.42 1.088 . . . . 0.0 108.859 -176.805 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 . . . . . 0 N--CA 1.429 -1.494 0 CA-C-O 119.77 -0.157 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 N--CA 1.476 0.868 0 O-C-N 124.548 1.155 . . . . 0.0 108.331 -173.684 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 15.2 p . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.42 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 3.4 tm? -75.8 -33.94 60.15 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.94 -39.08 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.894 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 1' ' ' SER . 53.2 mtmt -72.9 -56.49 5.12 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.682 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.28 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.49 -37.99 80.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.406 -176.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.24 -38.24 69.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.727 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.82 90.41 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.799 0.44 . . . . 0.0 111.62 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . 0.262 4.3 pp -67.79 -30.75 70.26 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.0 pt -84.39 -27.09 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 119.34 -0.944 . . . . 0.0 110.583 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -76.64 -42.32 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.37 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.26 -54.39 34.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.11 -52.44 65.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.002 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.9 -9.18 59.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.318 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.414 ' HB3' ' CD ' ' B' ' 21' ' ' GLU . 49.0 m -151.63 93.95 1.93 Allowed 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.2 -10.04 59.98 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.447 ' HG3' ' OE1' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -82.02 -24.45 35.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.878 1.339 . . . . 0.0 109.32 -179.281 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.447 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -102.75 -55.55 2.41 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.249 178.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.54 -44.36 67.67 Favored Glycine 0 N--CA 1.467 0.756 0 O-C-N 124.103 0.877 . . . . 0.0 114.15 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.81 -26.42 68.73 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.463 0.649 . . . . 0.0 111.183 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -96.48 -54.62 3.19 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.01 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -142.02 41.2 1.66 Allowed 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.557 -173.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmpp? 62.95 -172.79 0.16 Allowed 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.399 0.618 . . . . 0.0 110.599 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 90.0 mt -112.99 140.04 48.14 Favored 'General case' 0 CA--C 1.473 -2.013 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -77.84 155.79 30.81 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.547 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.442 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 63.8 mttp -57.44 -25.32 59.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.556 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 9.5 m -64.37 -24.86 67.79 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -84.53 -26.48 28.04 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.011 0.91 . . . . 0.0 108.917 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.441 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.2 tm? -66.42 -27.68 68.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.051 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.556 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.5 OUTLIER -52.87 -46.99 68.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 0.0 111.715 175.316 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.44 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 50.6 mt-10 -73.74 -34.73 64.87 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.737 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.41 ' HG ' HD13 ' B' ' 40' ' ' LEU . 35.3 tp -67.14 -34.93 78.62 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.052 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 8.0 pt -72.41 -38.93 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.46 -25.28 67.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 123.471 0.482 . . . . 0.0 111.984 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.51 -54.42 2.49 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -105.01 -52.88 2.76 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.399 -0.521 . . . . 0.0 112.2 -173.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.9 mp -62.99 -33.59 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.188 -174.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -129.37 96.36 4.27 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 172.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -101.58 9.98 40.69 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.127 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' B' ' 46' ' ' GLU . 64.3 m-85 -110.67 -59.11 2.0 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.333 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp 65.57 -66.5 0.15 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.15 1.38 . . . . 0.0 113.844 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.35 -24.16 62.05 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.149 0.5 . . . . 0.0 111.568 -175.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' B' ' 43' ' ' PHE . 30.9 mm-40 -80.3 -169.38 2.06 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.961 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.445 HG23 ' HA ' ' B' ' 81' ' ' THR . 4.3 mt 61.11 -137.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -174.93 79.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.885 1.274 . . . . 0.0 107.571 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' B' ' 80' ' ' VAL . 7.8 pt-20 -140.18 8.62 2.27 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.663 -171.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -61.54 -33.72 74.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 0.0 111.119 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -47.91 61.13 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.4 -41.11 90.38 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.467 -174.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.6 t -56.82 -40.5 71.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 O-C-N 123.336 0.398 . . . . 0.0 111.507 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.58 -45.65 78.57 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.337 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.515 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 56.0 mtpt -64.83 -33.99 77.3 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.954 0.883 . . . . 0.0 110.056 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.088 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.8 mmt -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.515 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 42.6 mt-10 -74.22 -58.38 3.34 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.644 0.735 . . . . 0.0 109.076 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 p -65.24 -42.1 93.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.887 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' B' ' 29' ' ' LYS . 18.5 tp -60.15 -37.67 80.83 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.372 0.669 . . . . 0.0 110.162 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.17 -53.58 19.32 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.479 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.41 49.87 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.873 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -13.7 61.1 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 121.582 0.706 . . . . 0.0 110.573 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.78 65.34 3.94 Favored Glycine 0 C--N 1.291 -1.952 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.97 -43.14 10.15 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.087 0.47 . . . . 0.0 110.568 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.5 -59.91 0.19 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.195 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -143.71 -178.35 5.86 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -175.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.33 123.09 30.93 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.9 164.81 18.15 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.144 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -59.25 -32.76 70.29 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 122.975 0.51 . . . . 0.0 111.015 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -69.2 -36.89 77.77 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.085 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.4 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 49.4 mt-10 -72.46 -28.43 62.93 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.249 -175.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.456 ' O ' HG12 ' B' ' 77' ' ' VAL . 4.3 t80 -55.18 -58.55 7.21 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -41.67 98.79 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.247 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.31 -57.14 13.04 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.008 0.523 . . . . 0.0 112.255 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.4 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 73.7 m-85 -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' ' 73' ' ' PHE . 13.6 p -73.49 -40.52 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.032 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.42 -27.13 62.15 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -80.08 -26.11 39.75 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 118.353 -1.339 . . . . 0.0 112.237 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 28.2 m -77.19 -51.92 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.17 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.445 ' HA ' HG23 ' B' ' 47' ' ' ILE . 60.7 m -84.24 -35.72 23.22 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -103.84 -46.12 4.58 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -173.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.97 -18.29 56.47 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.58 -29.4 66.93 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -121.82 -14.16 8.14 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.908 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.471 0.618 0 O-C-N 124.144 0.903 . . . . 0.0 109.153 -178.551 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.423 ' HB3' ' HA ' ' B' ' 39' ' ' GLU . 51.0 m . . . . . 0 CA--C 1.557 1.212 0 CA-C-O 121.502 0.667 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -90.75 -48.16 7.21 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.163 -0.961 . . . . 0.0 110.764 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.5 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.4 tm? -63.57 -29.67 70.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' CD ' ' HD1' ' B' ' 42' ' ' HIS . 22.4 tt0 -53.54 -56.35 17.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.08 173.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -63.18 -27.61 69.48 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.461 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' HD22 ' A' ' 10' ' ' LEU . . . -64.41 -48.74 74.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.961 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -60.4 -41.53 94.07 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.687 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.97 -39.85 86.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.212 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.56 88.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.852 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.758 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 3.9 mm? -59.19 -45.07 92.03 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.966 0.412 . . . . 0.0 111.672 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.3 pt -80.63 -32.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.668 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.3 t70 -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.75 0.309 . . . . 0.0 111.761 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.95 -30.32 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.514 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -75.04 -29.9 60.91 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 14.7 t60 -64.98 -38.2 90.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.27 1.028 . . . . 0.0 110.171 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 34.2 mm-40 -55.77 -40.06 72.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.694 0.759 . . . . 0.0 109.827 174.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.28 -161.6 0.85 Allowed 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 140.76 22.48 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.425 -0.797 . . . . 0.0 110.963 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.86 79.93 1.39 Allowed Glycine 0 N--CA 1.428 -1.882 0 N-CA-C 107.953 -2.059 . . . . 0.0 107.953 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -52.25 -25.76 10.13 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.549 1.14 . . . . 0.0 112.059 -175.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -67.87 -22.16 65.13 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 126.533 1.933 . . . . 0.0 110.302 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.24 28.87 10.14 Favored Glycine 0 CA--C 1.497 -1.068 0 N-CA-C 108.041 -2.024 . . . . 0.0 108.041 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' CG ' ' HD1' ' B' ' 85' ' ' HIS 0.397 34.7 t70 35.91 64.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -115.9 -30.78 5.97 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 166.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -131.24 36.82 3.78 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.084 173.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 68' ' ' CYS . 26.3 mtmt 40.83 -102.62 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 172.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 92.2 mt -154.3 168.99 24.75 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -95.82 158.74 15.31 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.281 178.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -62.16 -19.63 63.27 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 32.8 t -65.43 -22.51 66.77 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.03 -29.99 43.91 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.52 -27.0 64.1 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.42 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 30' ' ' SER . 1.7 tmmm? -55.89 -49.18 74.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.74 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -69.6 -28.84 66.28 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.236 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.89 -59.55 5.2 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.846 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 pt -60.79 -30.39 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -54.1 -38.28 65.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -116.6 -38.44 3.49 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.581 0.705 . . . . 0.0 112.665 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 68.1 mm-40 -83.92 24.34 0.92 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 77' ' ' VAL . 1.2 tt -138.83 -53.8 0.59 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -176.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -60.18 118.52 6.46 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -145.05 -74.18 0.24 Allowed 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -146.55 83.88 1.61 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.697 0.76 . . . . 0.0 109.353 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -149.91 111.54 4.5 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.77 -18.53 1.63 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -143.34 17.6 1.88 Allowed 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 47' ' ' ILE . 1.9 mp -82.42 -100.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.916 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -115.4 -8.34 12.24 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 123.027 1.394 . . . . 0.0 109.003 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 53' ' ' VAL . 11.5 pt-20 -52.84 -37.36 60.06 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.842 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -53.59 -39.24 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.811 0.444 . . . . 0.0 111.376 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.53 -55.01 4.73 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.835 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.98 -40.06 79.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.221 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -171.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 57' ' ' MET . 71.3 t -52.99 -51.33 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.269 0.486 . . . . 0.0 110.435 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.27 -42.25 84.17 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.244 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.77 -36.58 84.35 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.271 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -62.9 -48.28 88.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 123.564 0.745 . . . . 0.0 109.718 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.8 mmt -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.38 -53.61 10.31 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.5 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 p -64.86 -44.5 89.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -57.57 -45.59 85.01 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.525 0.516 . . . . 0.0 111.214 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.51 -28.41 24.98 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.962 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.74 -44.39 93.66 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.21 -49.13 65.7 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.35 -82.21 0.46 Allowed Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.49 0.956 . . . . 0.0 115.49 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.59 150.37 34.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.39 96.65 0.38 Allowed Glycine 0 N--CA 1.398 -3.878 0 N-CA-C 106.426 -2.67 . . . . 0.0 106.426 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 28' ' ' LYS 0.287 0.0 OUTLIER -56.94 111.1 0.94 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.146 0.974 . . . . 0.0 112.461 179.857 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.592 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 24.5 p -61.32 121.28 12.21 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 114.003 -1.453 . . . . 0.0 113.692 -165.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.96 163.19 14.09 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.417 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -58.75 -26.87 64.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.67 0.747 . . . . 0.0 110.024 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.84 -36.77 85.01 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.237 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 48.9 mt-10 -77.91 -35.3 50.79 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.2 m-85 -54.96 -54.25 45.22 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.755 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.37 -46.08 91.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.011 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -54.68 -58.98 5.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 123.798 0.686 . . . . 0.0 112.257 -177.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 93.6 m-85 -63.97 -43.3 96.16 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.8 p -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.4 66.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.571 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 25.2 ptt? -76.03 -23.58 55.15 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.28 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 40' ' ' LEU . 7.6 p -79.59 -28.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.41 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -78.2 -43.84 27.38 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.838 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.5 p -118.03 -63.75 1.38 Allowed 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.25 -0.281 . . . . 0.0 111.582 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 93.6 -74.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.769 2.028 . . . . 0.0 112.828 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.0 t -110.12 -74.28 0.66 Allowed 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.745 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.425 ' HD1' ' CG ' ' B' ' 23' ' ' ASP . 71.9 m-70 -142.86 29.03 1.53 Allowed 'General case' 0 CA--C 1.488 -1.425 0 CA-C-O 122.277 1.037 . . . . 0.0 110.481 -176.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 C--N 1.295 -1.799 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.998 179.116 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 N--CA 1.425 -1.7 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -168.106 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 16.4 m . . . . . 0 C--O 1.254 1.34 0 CA-C-O 120.928 0.394 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -89.89 -46.57 8.46 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 121.831 -0.543 . . . . 0.0 110.414 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.3 tm? -65.14 -30.56 71.49 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -52.83 -56.24 17.21 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.277 174.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -63.75 -25.74 68.33 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.726 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.87 76.16 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -61.69 -41.85 98.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.489 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.97 -40.41 88.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.21 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.94 89.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.023 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.755 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 3.9 mm? -59.45 -43.99 93.07 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.012 0.434 . . . . 0.0 111.606 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 pt -81.11 -33.26 12.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 C-N-CA 120.109 -0.637 . . . . 0.0 111.814 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 24.6 t70 -70.75 -30.97 67.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.503 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.13 -31.25 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.558 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -76.85 -25.21 52.9 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 8.4 t60 -67.96 -38.48 82.81 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.337 1.055 . . . . 0.0 109.603 173.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 33.7 mm-40 -56.75 -45.01 82.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.567 0.699 . . . . 0.0 109.793 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -88.03 -166.5 1.6 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t -143.93 139.52 29.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.595 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.76 75.58 1.66 Allowed Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 172.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -52.2 -26.21 11.07 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.988 1.315 . . . . 0.0 112.099 -174.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.87 -24.1 66.08 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 125.735 1.614 . . . . 0.0 109.58 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.9 31.43 7.73 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.425 ' CG ' ' HD1' ' A' ' 85' ' ' HIS 0.381 34.6 t70 33.58 67.24 0.2 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.42 -32.23 4.41 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 166.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -130.86 38.07 3.73 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.91 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.598 ' HD2' ' O ' ' B' ' 68' ' ' CYS . 23.8 mtmt 39.09 -101.42 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 172.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.502 ' HA ' ' NH1' ' B' ' 20' ' ' ARG . 94.0 mt -155.38 170.03 22.86 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -96.38 158.77 15.28 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 118.226 -1.39 . . . . 0.0 110.517 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.22 -20.95 64.73 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 47.5 t -65.25 -22.99 66.93 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.68 -27.05 37.18 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 109.516 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.47 -25.44 66.04 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.089 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.7 tmmm? -55.93 -49.71 72.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.748 173.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.29 -32.48 74.16 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.655 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -58.09 9.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.278 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 pt -63.06 -26.84 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.338 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -112.89 -54.97 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.025 0.44 . . . . 0.0 110.584 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 55.1 mm-40 -73.45 30.04 0.07 Allowed 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 125.462 1.505 . . . . 0.0 114.85 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.461 ' HG ' HG21 ' B' ' 77' ' ' VAL . 1.1 tt -143.64 -49.7 0.31 Allowed 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.8 m -68.46 120.39 14.45 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.504 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.422 ' HD1' ' CD ' ' A' ' 4' ' ' GLU . 5.4 t-160 -146.49 -68.52 0.27 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 175.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -150.5 88.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.509 1.124 . . . . 0.0 108.873 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.01 110.77 2.39 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.53 -30.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.24 15.36 11.41 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -167.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.41 HD11 ' N ' ' B' ' 47' ' ' ILE 0.304 1.9 mp -85.66 -105.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.534 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.847 -176.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -114.14 -6.73 13.06 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 123.298 1.523 . . . . 0.0 108.682 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 53' ' ' VAL . 10.7 pt-20 -57.08 -35.64 69.62 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 112.398 -2.183 . . . . 0.0 112.909 -177.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -54.37 -37.16 64.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.368 0.604 . . . . 0.0 111.105 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.75 -54.82 4.83 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.09 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.08 -38.84 81.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -171.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' B' ' 57' ' ' MET . 72.8 t -53.06 -50.25 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 118.329 0.513 . . . . 0.0 110.209 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.64 -39.28 77.2 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.514 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -37.6 87.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.166 0.508 . . . . 0.0 109.723 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.83 -49.75 82.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.874 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.6 mmt -60.64 -32.8 71.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.52 -50.88 10.82 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.796 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.1 p -67.0 -43.15 83.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.42 HD13 ' CZ ' ' B' ' 76' ' ' PHE . 37.9 tp -57.26 -46.55 82.96 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 123.521 0.513 . . . . 0.0 111.534 -177.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.15 -29.16 26.9 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.6 -45.14 91.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.86 -45.32 74.88 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 174.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 -82.58 0.19 Allowed Glycine 0 C--O 1.247 0.914 0 N-CA-C 115.449 0.939 . . . . 0.0 115.449 169.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.13 145.72 33.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.62 0.17 Allowed Glycine 0 N--CA 1.402 -3.612 0 N-CA-C 106.458 -2.657 . . . . 0.0 106.458 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' B' ' 28' ' ' LYS 0.295 0.0 OUTLIER -54.64 110.77 0.69 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.366 1.079 . . . . 0.0 112.762 -179.129 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.598 ' O ' ' HD2' ' B' ' 26' ' ' LYS . 22.2 p -62.91 123.98 19.9 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.791 -1.549 . . . . 0.0 114.545 -164.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -95.07 167.4 11.4 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.222 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -59.63 -27.95 66.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.435 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.85 -36.2 82.47 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.962 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.526 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 46.9 mt-10 -79.03 -35.99 41.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.565 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.582 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.2 m-85 -54.9 -54.02 47.93 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.758 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.29 -44.61 96.12 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.166 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -55.8 -59.3 5.07 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 123.554 0.534 . . . . 0.0 112.247 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 91.7 m-85 -62.46 -44.86 95.38 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.582 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.1 p -69.15 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.89 -38.4 61.89 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 24.9 ptt? -75.99 -23.94 55.3 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.043 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.02 -27.49 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.252 176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -81.83 -39.82 23.42 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.22 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.9 p -123.44 -58.89 1.59 Allowed 'General case' 0 C--O 1.213 -0.84 0 O-C-N 122.089 -0.382 . . . . 0.0 112.018 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 85.42 -71.49 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.627 1.571 . . . . 0.0 113.375 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.9 t -110.56 -73.14 0.69 Allowed 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.652 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.405 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 66.5 m-70 -144.39 29.55 1.28 Allowed 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.088 0.947 . . . . 0.0 111.066 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.294 -1.823 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.037 179.532 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -73.07 -53.9 9.9 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.184 0.594 . . . . 0.0 110.567 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -38.99 92.59 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.926 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 37.5 tt0 -50.76 -57.94 7.15 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.969 1.308 . . . . 0.0 110.746 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -53.64 -45.34 70.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.798 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.83 -49.41 72.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.712 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.74 -46.25 91.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.306 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.57 -43.76 98.37 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -35.75 80.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.537 ' O ' HG11 ' A' ' 13' ' ' VAL . 98.2 mt -65.88 -49.89 66.46 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.198 0.523 . . . . 0.0 111.288 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 pt -73.36 -35.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.503 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 31.9 t70 -74.11 -22.69 59.38 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.537 HG11 ' O ' ' A' ' 10' ' ' LEU . 7.3 p -67.18 -44.58 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.547 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -90.99 20.18 5.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.473 1.13 . . . . 0.0 111.955 175.332 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 23.1 t60 -95.07 -40.15 9.78 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -76.11 -47.11 25.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.579 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.453 ' O ' ' HD1' ' A' ' 14' ' ' PHE . 75.0 m-85 -93.15 130.29 38.85 Favored 'General case' 0 C--O 1.198 -1.646 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 t -157.6 177.5 11.33 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.484 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -92.47 -160.5 35.9 Favored Glycine 0 N--CA 1.43 -1.759 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.161 -178.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -35.42 4.19 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.435 -0.383 . . . . 0.0 111.675 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -134.07 -75.43 0.47 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.475 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.27 -36.1 35.79 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.572 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -87.98 1.6 53.76 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.414 0.626 . . . . 0.0 110.734 -175.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -92.27 -28.86 16.72 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -77.72 -60.05 2.53 Favored 'General case' 0 C--O 1.207 -1.16 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 52.8 mtpt -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 171.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.592 ' HG ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mm? -65.4 -25.86 67.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -162.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 70.74 146.08 0.07 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.594 1.158 . . . . 0.0 111.127 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.82 -33.77 73.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.01 0.434 . . . . 0.0 111.863 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -61.49 -34.31 75.26 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.164 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.71 -26.7 25.75 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.315 0.579 . . . . 0.0 110.389 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.3 tm? -64.0 -22.21 66.83 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -55.95 -58.28 8.56 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.373 1.069 . . . . 0.0 109.74 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -53.51 -40.04 65.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.421 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.09 -54.27 43.69 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.859 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.3 pt -68.57 -34.47 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.48 -48.3 70.31 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.834 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -107.18 -33.46 7.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -103.02 -7.48 21.37 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -170.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 5.4 tt -65.56 -64.07 0.95 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t 178.59 152.28 0.32 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -105.97 -17.15 14.43 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.494 -0.883 . . . . 0.0 110.949 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -101.95 99.64 9.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.059 0.933 . . . . 0.0 110.868 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.3 mm? -108.49 107.13 17.53 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -121.16 -72.63 0.68 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.822 0.82 . . . . 0.0 112.283 -173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.72 17.52 4.68 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.435 -172.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.427 ' HB ' ' OE2' ' A' ' 49' ' ' GLU . 2.6 pt -123.94 -169.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.427 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -101.55 -77.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.668 ' OE2' ' HA ' ' A' ' 81' ' ' THR . 8.1 mp0 56.32 -55.26 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 127.264 2.226 . . . . 0.0 116.706 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -50.15 -37.57 35.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -169.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -76.66 -49.69 15.53 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.807 0.813 . . . . 0.0 109.849 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.2 t -72.27 -40.58 65.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.709 -171.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' ' 57' ' ' MET . 57.2 t -55.28 -42.19 65.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 123.145 0.578 . . . . 0.0 111.216 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.92 -43.45 88.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.35 -36.97 85.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.717 0.77 . . . . 0.0 109.747 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 4.2 t -63.03 -46.59 95.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.533 0 C-N-CA 124.535 1.134 . . . . 0.0 110.922 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 0.0 110.768 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.15 -60.35 2.69 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 p -61.93 -40.21 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.4 tp -52.09 -46.78 65.36 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.552 0.741 . . . . 0.0 110.556 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -42.26 20.78 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.826 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -61.55 -36.29 80.17 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.944 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.82 -46.18 89.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.841 0.353 . . . . 0.0 110.162 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.33 -99.24 1.09 Allowed Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.035 -1.078 . . . . 0.0 114.225 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.5 -71.61 0.42 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.17 0.51 . . . . 0.0 109.809 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.91 62.77 5.93 Favored Glycine 0 N--CA 1.415 -2.74 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.46 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -53.62 99.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.929 0.871 . . . . 0.0 111.442 173.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.663 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 48.3 t -62.71 129.08 38.91 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.35 -165.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.447 ' CG ' ' HZ3' ' A' ' 26' ' ' LYS . 13.7 m-20 -109.12 167.06 10.38 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.614 173.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 73' ' ' PHE . 22.4 p90 -54.55 -29.44 50.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.218 1.007 . . . . 0.0 111.73 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.26 -39.4 94.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.856 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.663 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 44.1 mt-10 -72.43 -33.01 66.78 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 70' ' ' PHE . 24.1 m-85 -53.91 -56.45 17.67 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.46 ' SD ' ' HB2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.45 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.52 -56.73 18.39 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.465 -177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -63.81 -45.28 90.32 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.522 HG11 ' O ' ' A' ' 73' ' ' PHE . 9.6 p -68.92 -43.21 82.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.12 67.97 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.816 -0.552 . . . . 0.0 111.98 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 26.0 ptt? -82.62 -24.02 34.03 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.305 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -77.85 -43.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.774 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.668 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 85.5 m -79.79 -44.47 20.57 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.545 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -109.23 -82.55 0.56 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.139 -0.624 . . . . 0.0 112.285 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.46 -168.04 0.06 Allowed 'General case' 0 C--O 1.258 1.547 0 C-N-CA 123.918 0.887 . . . . 0.0 112.483 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.3 m 66.17 -63.85 0.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.983 1.713 . . . . 0.0 114.87 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -132.98 -1.41 3.31 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 122.069 -0.394 . . . . 0.0 110.87 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 124.835 1.254 . . . . 0.0 113.479 -178.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 N--CA 1.426 -1.662 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 -168.53 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 120.562 0.22 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -73.84 -52.45 12.99 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.505 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.49 -41.29 98.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.016 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 37.7 tt0 -48.22 -57.9 5.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.423 1.489 . . . . 0.0 110.735 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -53.68 -45.75 70.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.908 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -47.98 76.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.498 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.19 -45.85 92.9 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.619 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.55 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.05 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.85 79.24 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.509 ' O ' HG11 ' B' ' 13' ' ' VAL . 98.6 mt -65.31 -49.7 68.47 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.071 0.462 . . . . 0.0 111.311 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 pt -73.25 -34.06 43.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 33.6 t70 -70.66 -29.23 65.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.509 HG11 ' O ' ' B' ' 10' ' ' LEU . 7.3 p -66.42 -44.72 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.191 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.611 ' CG ' ' HG ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -90.85 18.56 6.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.435 1.112 . . . . 0.0 112.109 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 20.8 t60 -93.61 -39.96 10.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 168.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.83 -44.68 20.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.151 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.491 ' O ' ' HD1' ' B' ' 14' ' ' PHE . 81.6 m-85 -91.72 126.59 36.85 Favored 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 t -159.4 164.52 34.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' B' ' 23' ' ' ASP . . . -84.1 -167.05 41.76 Favored Glycine 0 CA--C 1.487 -1.683 0 CA-C-O 121.719 0.621 . . . . 0.0 113.712 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.22 -34.82 6.05 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.82 -0.69 . . . . 0.0 111.271 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.81 -80.39 0.44 Allowed 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.74 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.77 59.69 Favored Glycine 0 CA--C 1.493 -1.312 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.53 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.525 ' CG ' ' HA3' ' B' ' 19' ' ' GLY . 17.3 p-10 -91.76 1.29 57.26 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.052 0.941 . . . . 0.0 109.414 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -91.65 -35.7 14.06 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -71.81 -55.53 7.41 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 54.2 mtpt -136.1 139.14 42.75 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.611 ' HG ' ' CG ' ' B' ' 14' ' ' PHE . 2.7 mm? -66.12 -26.07 67.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -163.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 71.93 148.91 0.09 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.634 1.174 . . . . 0.0 111.291 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -62.98 -34.71 78.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -64.64 -29.85 70.86 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.014 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 35.1 mm-40 -86.14 -26.82 24.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.703 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.489 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -64.37 -22.78 67.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.32 -59.67 4.47 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 124.442 1.097 . . . . 0.0 109.404 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -54.66 -34.02 61.6 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.353 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -66.74 -55.64 14.09 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.253 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.489 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.0 pt -68.41 -33.58 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -66.9 -37.34 84.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.647 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.73 -37.84 3.07 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -97.22 -6.01 35.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 5.3 tt -67.11 -64.7 0.8 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t 177.16 152.97 0.22 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -104.44 -19.2 14.12 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.953 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -98.53 100.43 11.68 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 122.038 0.923 . . . . 0.0 110.936 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.43 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.2 mm? -109.32 105.08 14.32 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.06 -65.9 1.13 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -173.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.866 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.519 ' HB ' ' OE2' ' B' ' 49' ' ' GLU . 2.1 pt -117.23 -172.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -98.55 -78.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.654 ' OE2' ' HA ' ' B' ' 81' ' ' THR . 7.5 mp0 55.83 -53.88 0.02 OUTLIER 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 127.278 2.231 . . . . 0.0 116.348 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -47.82 -37.54 13.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.908 1.283 . . . . 0.0 113.755 -171.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.24 -49.68 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.563 0.697 . . . . 0.0 110.762 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -72.52 -40.61 63.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.487 -171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' B' ' 57' ' ' MET . 78.2 t -55.73 -39.62 56.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 122.913 0.485 . . . . 0.0 111.055 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.91 -42.45 85.4 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.937 0.399 . . . . 0.0 110.705 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.6 -35.41 78.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.686 0.755 . . . . 0.0 109.563 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 4.0 t -63.86 -45.7 96.32 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 C-N-CA 124.616 1.166 . . . . 0.0 110.754 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.603 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.22 -36.05 82.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.945 0.402 . . . . 0.0 110.272 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.54 -58.46 7.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.4 p -63.24 -41.99 99.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.1 tp -52.58 -45.78 66.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.636 0.774 . . . . 0.0 110.4 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -80.25 -42.54 22.99 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.095 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.23 -38.99 93.34 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.721 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.73 -45.76 92.55 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.573 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.4 -114.69 4.35 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.273 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.71 -69.0 0.21 Allowed 'General case' 0 C--O 1.248 0.982 0 C-N-CA 123.349 0.659 . . . . 0.0 110.204 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.13 57.13 17.94 Favored Glycine 0 N--CA 1.422 -2.252 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.537 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -46.61 100.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.506 0.669 . . . . 0.0 110.825 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.617 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 45.3 t -66.0 127.43 32.05 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.334 -1.303 . . . . 0.0 113.881 -167.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -109.48 167.83 9.84 Favored 'General case' 0 CA--C 1.487 -1.468 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.312 173.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.535 ' HA ' ' CD1' ' B' ' 73' ' ' PHE . 25.5 p90 -53.35 -30.26 38.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.47 1.108 . . . . 0.0 112.335 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.39 -39.58 92.41 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.739 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.617 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 42.7 mt-10 -70.32 -33.42 71.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.092 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' B' ' 70' ' ' PHE . 25.4 m-85 -54.05 -56.74 15.14 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.448 ' SD ' ' HB2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.34 -44.07 97.8 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.453 -178.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.65 -57.29 13.64 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.355 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -62.46 -45.79 91.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.511 HG11 ' O ' ' B' ' 73' ' ' PHE . 9.7 p -68.68 -43.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.93 67.41 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.831 -0.543 . . . . 0.0 112.014 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 26.5 ptt? -81.9 -26.32 34.22 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.334 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.25 -44.82 36.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 118.602 -1.239 . . . . 0.0 110.536 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.654 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . 90.2 m -78.31 -43.95 26.58 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.594 -176.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.6 m -110.69 -82.62 0.57 Allowed 'General case' 0 N--CA 1.436 -1.17 0 O-C-N 121.619 -0.676 . . . . 0.0 112.538 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.37 -168.0 0.06 Allowed 'General case' 0 C--O 1.256 1.442 0 C-N-CA 123.822 0.849 . . . . 0.0 112.527 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m 67.08 -70.38 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.263 1.425 . . . . 0.0 114.1 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -127.61 0.07 6.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.394 -0.191 . . . . 0.0 111.258 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.257 1.488 0 C-N-CA 124.691 1.197 . . . . 0.0 113.708 -179.18 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.82 0.343 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.69 -38.26 88.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.1 tm? -76.05 -38.55 57.02 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.241 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 50.0 tt0 -60.57 -36.87 79.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.757 0.789 . . . . 0.0 109.786 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.12 -53.01 51.9 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.668 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.01 92.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.678 -1.147 . . . . 0.0 113.056 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.416 ' HG3' HG23 ' B' ' 77' ' ' VAL . 14.9 tmm? -56.6 -45.73 81.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.2 -34.71 70.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.344 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.04 -52.71 58.15 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.416 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.541 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 4.5 mm? -51.66 -49.49 62.23 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.164 0.507 . . . . 0.0 111.701 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 pt -74.55 -48.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 13.9 t70 -72.71 -30.15 63.97 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.74 -41.51 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.49 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.77 -12.64 58.47 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.968 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.22 -42.01 76.27 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 169.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 74.3 mt-30 -70.43 -3.19 16.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.504 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.442 ' CZ ' ' HA3' ' A' ' 19' ' ' GLY . 23.8 t80 -54.17 -58.42 7.43 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.489 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 p 40.61 77.52 0.05 Allowed 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.274 1.03 . . . . 0.0 113.077 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 17' ' ' TYR . . . -113.99 138.23 14.72 Favored Glycine 0 N--CA 1.424 -2.138 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.022 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -23.22 65.2 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 123.24 0.616 . . . . 0.0 112.338 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.94 -63.85 1.09 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.598 174.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.37 29.4 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.869 -0.605 . . . . 0.0 113.51 -174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.85 -16.05 63.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 122.007 -0.702 . . . . 0.0 111.737 -174.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -98.43 -1.11 42.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.777 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -126.74 -81.38 0.61 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.648 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HE3' ' OE1' ' B' ' 86' ' ' GLU . 0.0 OUTLIER -151.04 149.33 29.42 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 100.811 -3.774 . . . . 0.0 100.811 176.329 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.47 -36.24 63.91 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 74.5 mmtt 64.04 116.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.984 1.314 . . . . 0.0 112.992 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HD2' ' O ' ' A' ' 67' ' ' GLU 0.295 0.0 OUTLIER -68.14 -18.93 64.76 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.683 -0.636 . . . . 0.0 111.619 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.9 m -62.62 -23.53 67.11 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.215 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -85.47 -22.62 28.16 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.745 0.783 . . . . 0.0 109.815 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 3.3 tm? -63.24 -21.2 66.08 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.57 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -53.45 -52.04 60.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.855 0.836 . . . . 0.0 110.988 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.43 -22.85 65.5 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.285 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' C ' HD11 ' A' ' 35' ' ' LEU . 3.1 tm? -72.27 -51.15 22.16 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' CG2' HD12 ' A' ' 40' ' ' LEU . 12.4 pt -65.25 -33.24 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.8 -30.27 71.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.368 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -99.67 -62.42 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 24.4 mm-40 -80.52 -32.92 36.73 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -172.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HG ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -74.3 -61.28 1.91 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 -173.014 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 p -90.16 92.4 8.94 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -165.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.484 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 31.7 m80 -126.44 -71.46 0.69 Allowed 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.36 -11.63 27.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.7 mm? -81.33 110.73 17.05 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -114.95 -73.69 0.64 Allowed 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -135.49 73.31 1.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -107.14 -49.84 8.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -150.77 -32.06 0.17 Allowed 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.08 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' OE1' ' HB3' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -58.07 -29.83 65.72 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.499 ' OE1' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -59.76 -27.02 66.15 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HG3' ' OE1' ' A' ' 50' ' ' GLN . 43.0 mt-10 -81.41 -59.01 2.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.641 1.21 . . . . 0.0 109.49 170.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.02 -25.36 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.852 -165.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' ' 56' ' ' VAL . 55.3 t -57.59 -42.85 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 119.122 0.873 . . . . 0.0 111.743 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.66 -40.97 92.99 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.805 0.812 . . . . 0.0 109.81 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -71.42 -30.73 66.42 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.699 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 53' ' ' VAL . 2.1 p -70.76 -34.59 57.04 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.0 mmt -66.58 -29.63 69.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.244 0.545 . . . . 0.0 109.965 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.7 -61.51 1.85 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.874 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 p -58.15 -40.88 82.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 15.8 tp -54.87 -48.34 73.09 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.073 0.949 . . . . 0.0 110.461 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.7 -33.08 21.61 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.638 -176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.42 -42.05 92.93 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.8 -39.8 95.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.06 -103.91 0.94 Allowed Glycine 0 C--O 1.242 0.625 0 CA-C-N 114.79 -1.095 . . . . 0.0 115.081 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -86.19 106.38 17.25 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-O 121.083 0.468 . . . . 0.0 110.447 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.29 27.78 0.13 Allowed Glycine 0 C--N 1.297 -1.638 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.576 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 2.3 mp0 56.72 -179.2 0.05 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.288 1.035 . . . . 0.0 113.276 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.502 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 43.7 t -134.09 101.95 5.22 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.152 170.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 167.53 9.87 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.669 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' B' ' 84' ' ' CYS . 4.4 p90 -57.71 -26.55 61.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.754 0.822 . . . . 0.0 111.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.84 -40.8 95.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -78.79 -32.57 46.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.477 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -52.84 -54.28 36.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.647 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.6 OUTLIER -62.15 -47.03 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.495 0.497 . . . . 0.0 111.154 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.58 29.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -62.65 -47.19 84.81 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 73' ' ' PHE . 7.5 p -68.41 -41.06 83.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.024 0.44 . . . . 0.0 112.169 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.75 47.85 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.974 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -78.33 -23.09 47.19 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 118.292 -1.363 . . . . 0.0 111.771 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.404 HG23 HD13 ' A' ' 40' ' ' LEU . 27.0 m -75.31 -51.62 20.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.149 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.477 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.5 m -83.73 -39.48 20.05 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.55 HG22 ' SG ' ' A' ' 84' ' ' CYS . 11.9 m -98.71 -49.79 4.47 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.638 -0.664 . . . . 0.0 111.414 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.07 86.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.022 1.329 . . . . 0.0 113.369 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.55 ' SG ' HG22 ' A' ' 82' ' ' THR . 58.7 m -144.43 154.33 42.84 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -112.0 0.24 15.94 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 167.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.592 ' OE1' ' HE3' ' B' ' 26' ' ' LYS . 31.0 tt0 . . . . . 0 CA--C 1.502 -0.904 0 C-N-CA 128.258 2.623 . . . . 0.0 107.491 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 . . . . . 0 N--CA 1.436 -1.163 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 N--CA 1.434 -1.265 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 -170.276 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -39.01 66.65 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.1 tm? -74.45 -39.66 62.41 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.031 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.484 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 46.7 tt0 -57.69 -42.73 84.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.412 0.625 . . . . 0.0 109.396 177.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.15 -50.06 74.71 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.037 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.42 94.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.421 ' HG3' HG23 ' A' ' 77' ' ' VAL . 14.8 tmm? -57.54 -45.57 84.9 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.132 0.491 . . . . 0.0 110.01 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -36.22 75.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.047 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -52.9 61.25 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.477 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.647 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 4.5 mm? -51.91 -50.34 61.26 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.002 0.43 . . . . 0.0 111.812 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 36.4 pt -73.97 -46.48 45.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 26.9 t70 -71.95 -31.74 66.61 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.98 -41.12 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.647 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -15.51 55.09 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 117.429 -1.709 . . . . 0.0 110.84 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 10.5 t60 -66.54 -40.18 88.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 75.9 mt-30 -72.23 -7.16 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.228 176.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.476 ' CZ ' ' HA3' ' B' ' 19' ' ' GLY . 23.7 t80 -51.12 -60.89 2.62 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 117.858 0.299 . . . . 0.0 110.502 175.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.5 p 45.71 72.45 0.22 Allowed 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.99 0.916 . . . . 0.0 112.643 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' B' ' 17' ' ' TYR . . . -105.69 141.09 15.33 Favored Glycine 0 N--CA 1.421 -2.346 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.929 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -63.55 -24.09 67.66 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.705 0.297 . . . . 0.0 111.572 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -96.01 -65.48 0.97 Allowed 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.448 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.63 -54.49 36.67 Favored Glycine 0 C--O 1.21 -1.355 0 O-C-N 123.539 0.524 . . . . 0.0 113.893 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.13 -22.26 66.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 122.102 -0.646 . . . . 0.0 111.578 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -96.15 2.02 52.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.83 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -129.55 -83.69 0.56 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.429 0.633 . . . . 0.0 110.462 177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.592 ' HE3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -150.01 147.84 28.33 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 177.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 4.5 mm? -53.18 -36.33 60.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -173.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 74.1 mmtt 61.65 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.937 1.295 . . . . 0.0 112.897 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.612 ' HD2' ' O ' ' B' ' 67' ' ' GLU 0.291 0.0 OUTLIER -64.29 -19.27 65.3 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.665 -0.647 . . . . 0.0 112.48 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -62.69 -23.74 67.29 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 121.979 -0.451 . . . . 0.0 110.311 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.27 -22.19 28.7 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.591 0.71 . . . . 0.0 109.681 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.3 tm? -62.04 -20.89 64.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.111 0.964 . . . . 0.0 108.746 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -53.22 -51.84 60.84 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.132 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.29 -26.24 67.98 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.034 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.72 -52.58 24.22 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.414 ' CG2' HD12 ' B' ' 40' ' ' LEU . 13.1 pt -65.21 -34.05 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -56.58 -36.53 69.47 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.054 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -95.85 -70.38 0.72 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 32.0 mm-40 -71.02 -37.18 72.62 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -170.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.477 ' HG ' HG22 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.1 -60.91 1.97 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.703 0.763 . . . . 0.0 110.989 -171.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -92.45 91.82 7.8 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.418 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 35.8 m80 -124.96 -69.15 0.81 Allowed 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -95.93 -12.42 25.11 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.425 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.7 mm? -81.31 112.71 18.86 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 171.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.54 -73.28 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -171.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -135.57 80.68 1.85 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.9 mt -114.36 -52.8 4.98 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -149.66 -30.03 0.24 Allowed 'General case' 0 C--O 1.245 0.821 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.019 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.425 ' OE1' ' HB3' ' B' ' 44' ' ' LEU . 0.8 OUTLIER -60.07 -29.77 68.78 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.061 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . 0.252 0.0 OUTLIER -61.4 -27.0 68.22 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.914 -0.714 . . . . 0.0 112.438 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.77 -55.93 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.289 1.042 . . . . 0.0 109.64 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t -73.59 -25.12 20.55 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -166.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 56' ' ' VAL . 54.7 t -57.51 -42.7 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 119.057 0.844 . . . . 0.0 112.088 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.8 -35.44 78.65 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -74.34 -30.46 62.04 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.549 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.643 HG13 ' O ' ' B' ' 53' ' ' VAL . 2.6 p -69.43 -34.57 62.82 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.866 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -67.83 -29.9 69.17 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.256 0.55 . . . . 0.0 109.945 178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.94 -61.32 1.85 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.184 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -58.39 -41.33 84.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 15.3 tp -55.19 -42.77 73.67 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 124.213 1.005 . . . . 0.0 110.708 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -89.0 -36.38 15.86 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.731 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.58 -40.88 96.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.249 0.62 . . . . 0.0 110.713 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.1 -43.53 91.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 -106.68 1.9 Allowed Glycine 0 CA--C 1.505 -0.547 0 CA-C-N 114.936 -1.029 . . . . 0.0 114.785 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.91 105.14 17.24 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.437 0.637 . . . . 0.0 110.508 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.59 29.04 0.2 Allowed Glycine 0 C--N 1.296 -1.669 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.612 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 2.1 mp0 56.81 177.78 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.723 1.209 . . . . 0.0 113.62 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.567 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 47.3 t -132.28 101.6 5.43 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.038 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -109.44 168.0 9.72 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 4.5 p90 -57.29 -26.78 61.4 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.693 0.797 . . . . 0.0 112.147 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -64.83 -40.66 95.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.75 -32.95 46.87 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.443 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.671 ' O ' HG11 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.7 -54.68 30.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.455 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.541 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.26 -47.43 86.07 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.556 0.535 . . . . 0.0 111.289 176.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.25 -54.43 43.55 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -63.76 -47.34 81.39 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.671 HG11 ' O ' ' B' ' 73' ' ' PHE . 7.6 p -68.15 -41.06 83.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.15 47.99 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.076 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -77.64 -23.41 49.74 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 117.875 -1.53 . . . . 0.0 111.583 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -75.45 -51.58 20.62 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.488 0 C-N-CA 118.641 -1.224 . . . . 0.0 111.638 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.25 -37.59 21.56 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.556 HG22 ' SG ' ' B' ' 84' ' ' CYS . 10.8 m -99.33 -50.99 3.93 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.653 -0.654 . . . . 0.0 111.356 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.65 88.78 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.904 1.282 . . . . 0.0 113.342 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.556 ' SG ' HG22 ' B' ' 82' ' ' THR . 57.2 m -148.3 152.54 37.27 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.129 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -110.46 -1.84 16.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 166.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.541 ' OE1' ' HE3' ' A' ' 26' ' ' LYS . 30.3 tt0 . . . . . 0 CA--C 1.509 -0.621 0 C-N-CA 128.284 2.634 . . . . 0.0 107.551 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.403 ' HB3' ' OE2' ' B' ' 39' ' ' GLU . 4.7 m . . . . . 0 N--CA 1.438 -1.06 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 2.5 tp10 -68.66 -37.25 79.49 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.158 0.504 . . . . 0.0 110.13 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' HD11 ' A' ' 3' ' ' LEU . 2.3 tm? -73.51 -34.62 65.36 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.128 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 8' ' ' VAL . 54.4 mt-10 -56.32 -40.27 74.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.888 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 46.1 pttt -71.61 -25.16 62.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.944 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.75 85.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -65.18 -40.2 93.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.649 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 4' ' ' GLU . 95.8 t -60.36 -43.87 94.74 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.672 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.058 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.81 77.58 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.971 0.508 . . . . 0.0 111.642 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' SD ' ' B' ' 74' ' ' MET . 34.3 mt -60.22 -42.74 95.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.411 0.684 . . . . 0.0 111.212 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.4 pt -82.37 -24.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 120.625 -1.297 . . . . 0.0 112.074 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.551 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 11.2 t70 -79.67 -50.88 9.97 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.58 -35.77 65.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.856 0.36 . . . . 0.0 110.089 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.438 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -62.62 -46.53 87.83 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.551 175.137 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 12' ' ' ASP . 2.0 p-80 -65.02 -27.41 68.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 119.621 -0.832 . . . . 0.0 113.065 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.2 mt-30 -65.91 -43.33 88.46 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.032 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.65 -26.22 15.28 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -72.52 151.5 42.43 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -72.7 93.12 0.63 Allowed Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -54.33 -35.5 62.76 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 37.5 tt0 -95.2 -75.95 0.51 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -35.32 74.78 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.563 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' OD1' ' HA3' ' A' ' 19' ' ' GLY . 5.5 m-20 -91.74 14.17 16.08 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.976 0.417 . . . . 0.0 112.064 -173.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 60.99 27.29 17.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.573 0.749 . . . . 0.0 112.666 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 72.67 14.19 5.12 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.568 0.747 . . . . 0.0 111.193 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.83 154.73 24.68 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 120.895 -1.128 . . . . 0.0 111.037 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -71.64 -39.12 70.58 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -166.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 72.6 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.365 1.066 . . . . 0.0 109.705 -169.61 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.603 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.1 mtpt -68.94 -30.39 68.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.935 -174.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -63.84 -32.36 73.85 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.029 0.443 . . . . 0.0 110.085 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.43 -18.62 33.09 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.46 -24.54 67.5 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.831 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB2' HD23 ' A' ' 60' ' ' LEU . 4.6 tmmm? -55.68 -54.32 45.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.939 175.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 -33.14 75.32 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.048 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 40' ' ' LEU . 33.9 tp -69.99 -42.67 72.78 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.322 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 10.1 pt -65.05 -42.32 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -62.19 -22.82 66.21 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.066 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -99.39 -68.72 0.79 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -101.37 -21.13 14.91 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -165.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.2 mp -99.87 -22.78 15.17 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.336 -175.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.7 m -143.49 89.85 2.11 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.397 0.617 . . . . 0.0 110.48 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -115.0 -39.4 3.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.404 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -90.17 -3.52 57.82 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.06 92.37 5.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.747 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.05 -18.95 15.37 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.063 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 11.6 pt-20 -147.88 -153.02 0.47 Allowed 'General case' 0 N--CA 1.416 -2.151 0 C-N-CA 124.074 0.949 . . . . 0.0 108.914 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.426 HG22 ' HG2' ' A' ' 48' ' ' LYS . 67.3 mt 92.36 -87.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.45 1.5 . . . . 0.0 111.603 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 82' ' ' THR . 29.8 mmmt -137.5 6.35 2.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.471 0.653 . . . . 0.0 111.674 -176.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -62.18 -47.67 83.46 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -173.288 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -59.46 -32.13 69.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.306 0.503 . . . . 0.0 111.963 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.62 -56.26 4.12 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.657 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.02 -45.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 57' ' ' MET . 79.3 t -57.25 -40.5 74.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 C-N-CA 122.46 0.304 . . . . 0.0 111.593 -176.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.92 -41.31 87.29 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.017 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.41 -34.59 78.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.796 0.808 . . . . 0.0 110.03 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.02 -46.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 124.348 1.059 . . . . 0.0 110.368 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.8 mmt -67.03 -27.56 67.51 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.557 0.694 . . . . 0.0 110.374 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.25 -59.4 3.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.944 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 14.0 p -64.01 -40.75 97.03 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 6.8 mp -56.6 -29.92 62.66 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -101.08 -46.32 5.11 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.255 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.35 -51.82 22.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.153 -176.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 59' ' ' THR . 15.5 t70 -73.12 -64.19 1.02 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.43 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.08 -49.57 2.57 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 113.022 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 69.1 -50.66 0.6 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.614 2.366 . . . . 0.0 112.564 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.98 -24.99 5.61 Favored Glycine 0 C--N 1.299 -1.501 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.68 -178.62 6.55 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.612 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 12.1 t -143.45 135.11 26.39 Favored 'General case' 0 CA--C 1.481 -1.709 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 173.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -108.7 167.74 9.84 Favored 'General case' 0 C--N 1.282 -2.357 0 O-C-N 124.001 0.813 . . . . 0.0 109.517 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' B' ' 78' ' ' ALA . 12.9 p90 -64.87 -24.03 67.41 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.147 0.499 . . . . 0.0 110.243 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.05 -38.75 92.19 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.685 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.612 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 52.4 mt-10 -79.28 -31.79 43.43 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -53.7 -46.66 70.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 175.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.496 ' SD ' HD12 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.79 -53.94 33.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.457 174.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -50.79 -51.68 48.35 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 123.923 0.764 . . . . 0.0 112.972 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.487 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 71.0 m-85 -66.93 -44.86 79.58 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.4 ' HB ' HD22 ' A' ' 40' ' ' LEU . 10.9 p -70.06 -33.15 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.015 0.436 . . . . 0.0 111.102 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' B' ' 70' ' ' PHE . . . -75.22 -32.0 61.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.458 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 75' ' ' ALA 0.256 25.6 ptt? -84.79 -30.0 24.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.345 -1.342 . . . . 0.0 113.23 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.5 m -71.06 -39.22 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 ' CE ' ' B' ' 7' ' ' MET . 13.6 m -85.24 -25.13 27.48 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.069 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.552 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 61.9 m -136.78 -101.17 0.2 Allowed 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 121.705 -0.622 . . . . 0.0 112.462 -177.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 51.61 176.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.93 0.892 . . . . 0.0 112.675 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.6 m 64.84 -50.9 0.33 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.811 1.645 . . . . 0.0 115.101 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -129.64 72.93 1.49 Allowed 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.597 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 N--CA 1.422 -1.825 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' OXT' ' HB3' ' B' ' 15' ' ' HIS . 10.5 pt-20 . . . . . 0 C--O 1.259 1.582 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.243 0.718 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.3 tp10 -74.61 -35.39 62.94 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.318 0.58 . . . . 0.0 109.929 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.42 HD11 ' O ' ' B' ' 3' ' ' LEU . 2.4 tm? -75.36 -33.95 61.12 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.477 ' O ' HG22 ' B' ' 8' ' ' VAL . 52.7 mt-10 -56.64 -40.26 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 46.7 pttt -71.7 -25.72 62.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.757 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.89 87.73 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.406 ' CE ' HG23 ' A' ' 81' ' ' THR . 10.2 tmm? -65.18 -39.92 93.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.596 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 4' ' ' GLU . 95.8 t -61.23 -42.73 94.56 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.736 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.084 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.67 82.04 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.842 0.457 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.496 HD12 ' SD ' ' A' ' 74' ' ' MET . 35.1 mt -60.57 -43.41 97.34 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.489 0.716 . . . . 0.0 110.865 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 pt -81.15 -24.43 10.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 O-C-N 120.608 -1.308 . . . . 0.0 111.877 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.634 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 25.6 t70 -77.27 -52.28 9.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.87 -35.68 66.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-O 120.959 0.409 . . . . 0.0 110.276 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.431 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -62.56 -48.52 79.13 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.813 175.059 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.634 ' CE1' ' HA ' ' B' ' 12' ' ' ASP . 2.2 p-80 -63.6 -29.0 70.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.983 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 78.2 mt-30 -62.34 -51.05 69.15 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.662 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -89.9 -30.3 17.96 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.985 -169.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 46.5 m -67.58 151.06 47.96 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.2 92.22 0.48 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -33.06 66.82 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -95.14 -77.56 0.47 Allowed 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.22 76.85 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 121.191 -0.528 . . . . 0.0 114.397 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.78 15.84 9.05 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 59.44 27.41 16.54 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 3.5 t60 73.1 10.97 5.19 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.869 0.868 . . . . 0.0 111.499 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -109.2 156.18 20.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.018 -1.051 . . . . 0.0 111.433 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.502 ' O ' ' HE3' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -72.62 -40.28 66.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -167.511 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.502 ' HE3' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER 72.92 131.65 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.608 1.163 . . . . 0.0 109.876 -169.684 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.625 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 49.2 mtpt -65.56 -28.88 69.47 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.193 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.9 t -66.41 -34.33 77.71 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 121.318 0.58 . . . . 0.0 110.695 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.13 -18.7 41.95 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.606 -0.684 . . . . 0.0 110.579 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.4 tm? -63.77 -24.96 67.97 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.219 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -56.25 -52.71 63.46 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.964 0.887 . . . . 0.0 111.379 175.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.84 -34.42 77.77 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.317 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.419 ' HG ' ' CD1' ' B' ' 40' ' ' LEU . 32.4 tp -67.78 -42.1 82.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.447 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.505 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 10.3 pt -66.22 -43.01 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -63.25 -21.38 66.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.39 0.614 . . . . 0.0 111.877 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -99.73 -69.36 0.77 Allowed 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' A' ' 1' ' ' SER . 16.8 tp10 -101.15 -24.14 14.33 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -166.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.3 mp -97.67 -21.72 16.86 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.416 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.7 m -144.47 90.42 2.09 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.455 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -113.97 -40.45 3.73 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -88.65 -4.5 58.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.057 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.6 92.17 5.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.772 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.47 -11.78 16.87 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.228 0.537 . . . . 0.0 110.324 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 12.6 pt-20 -150.61 -153.52 0.49 Allowed 'General case' 0 N--CA 1.42 -1.963 0 C-N-CA 124.407 1.083 . . . . 0.0 108.409 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 75.3 mt 87.18 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.177 1.391 . . . . 0.0 111.279 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' B' ' 82' ' ' THR . 29.8 mmmt -137.34 4.98 2.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 46' ' ' GLU 0.254 0.0 OUTLIER -62.77 -47.17 84.67 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.315 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -56.17 -34.26 66.02 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.275 0.489 . . . . 0.0 112.232 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -81.74 -57.37 3.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.55 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.01 -45.98 79.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.3 t -56.11 -40.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.04 -43.11 88.5 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.602 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -63.33 -35.73 81.35 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.794 0.807 . . . . 0.0 109.713 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.73 -47.31 86.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.417 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -66.03 -28.6 68.98 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.431 0.634 . . . . 0.0 110.257 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.04 -57.06 6.74 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.475 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' B' ' 63' ' ' ASP . 13.7 p -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 6.6 mp -56.03 -31.77 63.43 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -95.72 -50.58 4.87 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.288 0.566 . . . . 0.0 112.14 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.24 -48.68 40.96 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.046 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' B' ' 59' ' ' THR . 32.4 t70 -76.17 -62.08 1.73 Allowed 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.37 -52.25 1.82 Allowed Glycine 0 CA--C 1.525 0.657 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.585 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 69.44 -46.99 0.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.953 2.501 . . . . 0.0 112.569 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.79 -14.08 10.62 Favored Glycine 0 C--N 1.299 -1.499 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 12.1 pt-20 -157.39 -179.03 7.8 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.603 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.0 t -145.84 133.13 20.57 Favored 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 172.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -106.5 166.41 10.57 Favored 'General case' 0 C--N 1.283 -2.292 0 O-C-N 124.155 0.909 . . . . 0.0 109.63 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 13.0 p90 -63.82 -24.07 67.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.246 0.546 . . . . 0.0 110.499 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.877 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.603 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 49.7 mt-10 -78.43 -31.24 48.05 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -54.39 -46.6 73.11 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.522 ' SD ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.59 -53.79 36.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.342 174.686 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -49.9 -54.24 20.9 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.964 0.79 . . . . 0.0 112.773 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.484 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 74.1 m-85 -65.7 -42.83 90.69 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.97 -32.71 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 120.998 0.428 . . . . 0.0 110.935 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . . . -74.87 -33.92 62.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.317 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' B' ' 75' ' ' ALA 0.267 25.5 ptt? -82.9 -31.34 27.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.542 -1.263 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.83 -39.33 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.541 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -85.23 -24.21 27.92 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.99 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.528 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 60.1 m -138.3 -102.06 0.18 Allowed 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 121.555 -0.716 . . . . 0.0 112.716 -176.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 51.58 173.94 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.05 0.94 . . . . 0.0 112.919 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.1 m 66.6 -52.81 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.215 1.406 . . . . 0.0 114.694 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -127.71 70.41 1.33 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.303 -1.455 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.893 -175.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 120.532 0.206 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.27 -33.52 73.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.388 0.675 . . . . 0.0 110.325 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.412 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 3.1 tm? -69.86 -32.58 71.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.86 -52.22 66.0 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.262 0.351 . . . . 0.0 111.188 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.411 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.589 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -82.1 -63.38 1.39 Allowed 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -58.92 -41.11 86.5 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.507 0.504 . . . . 0.0 110.944 -171.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.51 -38.99 82.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.78 94.04 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.6 mp -64.58 -51.5 62.44 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.958 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -71.02 -31.73 46.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-O 121.143 0.496 . . . . 0.0 112.0 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.0 -22.42 31.37 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 10' ' ' LEU . 8.6 p -65.97 -33.16 61.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.61 177.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 69' ' ' ASP . 63.1 m-85 -66.22 -29.35 69.59 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-O 121.46 0.647 . . . . 0.0 110.598 173.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -76.37 -48.52 19.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.164 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.85 -44.93 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.716 0.806 . . . . 0.0 110.514 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -84.98 80.23 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.021 0.915 . . . . 0.0 108.896 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -75.64 104.82 6.37 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.5 162.49 47.55 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.945 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -32.77 72.25 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.907 0.86 . . . . 0.0 108.771 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 65.4 tt0 -115.91 -19.74 10.28 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.145 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -59.71 -51.9 56.25 Favored Glycine 0 CA--C 1.499 -0.915 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 173.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.9 81.28 8.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.8 tmtt? -176.57 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 125.601 1.56 . . . . 0.0 106.844 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -176.32 79.45 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 10.5 mmpt? 63.5 174.75 0.16 Allowed 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.881 1.272 . . . . 0.0 113.453 176.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -110.57 138.43 46.97 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.011 -0.431 . . . . 0.0 112.115 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HZ3' ' CD ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -48.78 150.62 1.4 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.602 1.161 . . . . 0.0 111.979 172.024 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 82.2 mttt -68.27 -30.19 69.15 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.882 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.6 m -62.89 -30.57 71.63 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.19 -30.81 58.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.29 -29.15 70.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.295 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.9 tmmt? -56.75 -50.44 72.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.998 0.904 . . . . 0.0 111.476 176.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.33 -22.81 61.87 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -75.02 -47.33 29.57 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 14.8 pt -63.99 -32.18 56.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 CA-C-O 121.947 0.88 . . . . 0.0 111.979 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.11 -41.46 79.0 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.599 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -93.45 -61.69 1.51 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.215 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.24 73.46 0.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.957 0.884 . . . . 0.0 110.879 -172.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' HG23 ' A' ' 77' ' ' VAL . 5.1 tt -175.42 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.1 m -58.95 96.28 0.03 OUTLIER 'General case' 0 C--O 1.242 0.693 0 O-C-N 124.709 1.256 . . . . 0.0 109.644 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -159.44 119.39 3.03 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 60.52 53.52 4.12 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.6 mt -81.36 85.02 6.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -94.32 -52.79 4.19 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.37 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.73 -47.72 81.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.517 -1.22 . . . . 0.0 111.23 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 47.5 mm 66.12 71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.375 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -144.79 10.77 1.38 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.482 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -89.3 -15.26 33.88 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.555 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -48.57 -29.97 4.82 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.631 1.572 . . . . 0.0 111.69 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.45 -58.8 3.03 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.02 -31.61 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.175 -172.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 56' ' ' VAL . 75.4 t -68.23 -39.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 122.036 -0.415 . . . . 0.0 111.379 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.63 -37.5 84.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.148 0.975 . . . . 0.0 108.888 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -27.11 61.5 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.537 -1.211 . . . . 0.0 112.59 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 53' ' ' VAL . 1.3 p -70.4 -36.57 67.23 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -67.84 -40.24 83.74 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.54 -58.47 8.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.31 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -64.85 -42.79 94.6 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 18.3 tp -53.29 -46.17 69.22 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.922 0.764 . . . . 0.0 110.87 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.05 -41.86 21.97 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.578 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.52 -43.12 93.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.767 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.46 -77.42 0.15 Allowed 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.978 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.05 32.9 5.03 Favored Glycine 0 N--CA 1.475 1.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 114.285 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.01 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.63 64.61 0.54 Allowed Glycine 0 CA--C 1.465 -3.089 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 63.17 178.73 0.15 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 126.096 1.758 . . . . 0.0 110.457 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 13.9 p -148.64 156.04 41.86 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 15.9 t70 -160.43 -144.31 0.11 Allowed 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.468 ' CD2' ' HB1' ' B' ' 78' ' ' ALA . 48.1 p90 -40.57 -50.2 2.97 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.582 1.953 . . . . 0.0 115.596 -172.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -54.48 39.3 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.675 0.75 . . . . 0.0 110.669 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.37 -33.1 61.02 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.477 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.4 t80 -54.63 -56.88 14.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.51 ' SD ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -58.1 -40.59 81.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.577 -178.381 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.2 69.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.456 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -64.95 -48.2 74.9 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.3 p -65.89 -50.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -22.96 65.1 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.439 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.415 ' HA ' ' CB ' ' A' ' 83' ' ' ALA . 24.4 ptt? -80.38 -38.12 30.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.379 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.0 m -73.88 -34.56 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.242 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -84.58 -43.67 14.25 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -110.78 -49.56 3.03 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' A' ' 79' ' ' MET . . . -65.05 -7.52 12.38 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 49' ' ' GLU . 85.3 m -61.33 -22.25 64.74 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.587 0.708 . . . . 0.0 109.879 172.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.0 27.92 3.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.223 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 125.282 1.433 . . . . 0.0 112.802 -178.466 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 . . . . . 0 N--CA 1.427 -1.617 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 . . . . . 0 C--O 1.256 1.402 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.534 -174.245 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 109.52 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.83 -34.83 72.1 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.781 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.83 -46.69 87.09 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -69.62 -29.6 67.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.113 0.483 . . . . 0.0 110.189 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.592 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -81.97 -63.65 1.34 Allowed 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -58.3 -40.61 82.45 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.421 0.451 . . . . 0.0 111.032 -171.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -66.97 -39.9 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.667 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.61 90.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.592 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.6 mp -66.8 -52.01 49.02 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.96 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 45.0 pt -70.51 -31.77 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.147 0.498 . . . . 0.0 111.893 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.66 -22.7 32.06 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.522 HG11 ' O ' ' B' ' 10' ' ' LEU . 10.0 p -66.26 -33.1 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.603 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -65.93 -29.52 69.95 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.502 0.668 . . . . 0.0 110.626 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -76.43 -48.96 17.94 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.658 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -52.24 -43.11 64.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.444 1.097 . . . . 0.0 111.256 176.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -89.78 79.99 6.61 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.0 m -72.52 124.53 25.41 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.837 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.25 163.76 21.13 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.143 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -73.34 -28.77 62.24 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 122.139 0.971 . . . . 0.0 108.881 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' B' ' 24' ' ' LYS . 38.7 tt0 -117.7 -21.78 8.33 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.11 -1.404 . . . . 0.0 108.271 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' B' ' 26' ' ' LYS . . . -59.02 -48.85 83.91 Favored Glycine 0 C--N 1.343 0.922 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 172.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.04 79.63 9.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' B' ' 21' ' ' GLU . 13.5 tmtt? -174.62 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -175.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -174.37 78.02 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.321 173.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.543 ' O ' ' HA2' ' B' ' 22' ' ' GLY . 10.7 mmpt? 64.0 174.89 0.18 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 125.142 1.377 . . . . 0.0 113.233 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.8 134.47 52.0 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -173.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -45.95 148.61 0.78 Allowed 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 125.171 1.389 . . . . 0.0 112.059 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.441 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 83.8 mttt -67.04 -29.65 69.51 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.344 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.3 m -63.62 -28.53 69.98 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.429 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.24 -31.73 49.35 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.421 0.629 . . . . 0.0 109.706 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -29.33 70.08 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.048 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -57.36 -48.2 79.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.842 0.857 . . . . 0.0 111.756 175.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.48 -25.56 60.51 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.285 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.29 -47.86 46.76 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.699 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' B' ' 40' ' ' LEU . 16.3 pt -63.62 -32.99 58.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 121.903 0.859 . . . . 0.0 112.048 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.04 -38.25 72.94 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.063 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -97.49 -63.58 1.12 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.361 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' A' ' 3' ' ' LEU . 10.8 tp10 -103.12 73.16 1.21 Allowed 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.972 0.892 . . . . 0.0 110.257 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' B' ' 77' ' ' VAL . 5.3 tt -177.61 -52.1 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -60.25 95.29 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.668 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -159.69 116.96 2.63 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.07 -174.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 61.62 51.8 3.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.81 86.65 5.96 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.29 -46.6 5.22 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.223 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.71 -40.15 94.02 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.035 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.471 ' HA ' ' OE1' ' B' ' 49' ' ' GLU . 44.3 mm 57.87 70.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-O 122.742 1.258 . . . . 0.0 111.582 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -146.55 10.94 1.11 Allowed 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 113.53 -1.668 . . . . 0.0 108.524 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.571 ' HA ' ' SG ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -88.88 -17.68 29.13 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 113.787 -1.552 . . . . 0.0 107.386 -179.343 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -45.35 -35.95 3.88 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.674 1.59 . . . . 0.0 111.636 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -74.78 -56.14 5.1 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.184 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.7 t -73.1 -32.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.039 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.645 ' O ' HG13 ' B' ' 56' ' ' VAL . 72.0 t -67.79 -39.86 82.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 122.778 0.431 . . . . 0.0 111.26 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.35 -36.41 82.81 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.288 1.042 . . . . 0.0 108.771 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -75.36 -25.26 57.58 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.522 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.645 HG13 ' O ' ' B' ' 53' ' ' VAL . 1.1 p -72.11 -36.18 55.8 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.898 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -67.14 -40.33 86.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -61.0 2.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.236 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.3 p -61.77 -42.84 99.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 19.2 tp -52.52 -47.96 66.32 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 124.002 0.814 . . . . 0.0 110.976 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.8 -43.22 22.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.541 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.72 -39.39 84.5 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.16 -77.62 0.19 Allowed 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.98 37.46 5.51 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 123.375 0.422 . . . . 0.0 113.951 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.05 -72.91 0.07 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.09 65.35 0.4 Allowed Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 64.36 178.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.92 1.688 . . . . 0.0 110.462 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 15.2 p -149.04 156.23 41.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.414 ' OD2' ' HD1' ' B' ' 70' ' ' PHE . 13.0 t70 -158.06 -145.97 0.15 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.414 ' HD1' ' OD2' ' B' ' 69' ' ' ASP . 54.5 p90 -40.6 -47.55 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -62.69 -58.36 7.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.585 0.707 . . . . 0.0 110.118 -174.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.55 -32.32 65.98 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.268 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.605 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.9 t80 -55.18 -56.91 14.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.495 ' SD ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -57.99 -42.12 84.46 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.143 0.902 . . . . 0.0 111.299 -178.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -51.99 66.1 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.407 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -63.82 -48.92 74.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.239 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.605 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.9 p -64.79 -51.8 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -68.38 -22.62 64.63 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.567 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.421 ' HA ' ' CB ' ' B' ' 83' ' ' ALA . 24.5 ptt? -80.18 -37.68 32.8 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 118.344 -1.342 . . . . 0.0 111.201 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.8 m -73.78 -34.3 40.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.292 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 -47.15 10.98 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.922 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -108.18 -47.24 3.58 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -172.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' B' ' 79' ' ' MET . . . -67.13 -3.72 8.27 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -173.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' B' ' 49' ' ' GLU . 77.8 m -67.92 -14.49 63.0 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.694 0.759 . . . . 0.0 109.584 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -140.59 28.47 1.99 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.491 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 114.281 -1.327 . . . . 0.0 113.674 -178.5 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 33.9 m . . . . . 0 C--O 1.243 0.717 0 CA-C-O 121.541 0.686 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 7.2 tp10 -82.7 -38.66 23.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' B' ' 73' ' ' PHE . 3.9 mm? -66.8 -27.7 67.78 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.25 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 1' ' ' SER . 39.2 tt0 -55.03 -60.21 3.68 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.432 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 16.2 ptpt -63.79 -29.89 71.04 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.223 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.73 -49.95 34.68 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -68.91 -42.16 77.21 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.46 -34.24 67.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.548 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.87 80.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.444 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.52 -41.3 85.15 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.692 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 pt -82.89 -39.4 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 119.821 -0.752 . . . . 0.0 112.904 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.95 -40.15 68.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.919 -0.488 . . . . 0.0 111.256 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.15 -32.2 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 121.27 0.557 . . . . 0.0 109.524 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.08 -42.48 99.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.054 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.63 -44.0 96.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.17 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -52.53 -26.63 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -87.26 90.05 8.22 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 126.72 52.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.678 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -84.96 162.04 36.77 Favored Glycine 0 N--CA 1.425 -2.037 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.52 68.59 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 117.231 0.516 . . . . 0.0 109.804 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -156.44 -70.45 0.11 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.565 1.146 . . . . 0.0 110.163 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.9 -39.6 97.74 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.805 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 22.7 m-20 -84.61 4.17 33.49 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.445 0.641 . . . . 0.0 110.339 -177.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -97.72 -26.59 14.68 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -87.61 -55.42 3.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 45.4 mtmt -119.28 131.89 55.82 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 172.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.48 -33.52 54.55 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 70.78 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.375 1.07 . . . . 0.0 110.217 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' CE ' ' HA3' ' A' ' 64' ' ' GLY . 44.6 mttm -72.81 -19.43 61.33 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 19.0 m -61.72 -26.72 68.22 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.127 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -85.71 -33.12 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 109.413 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.62 -29.51 70.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.156 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HA ' HG12 ' A' ' 36' ' ' ILE 0.256 0.0 OUTLIER -64.31 -27.84 69.31 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 178.807 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.83 0.824 . . . . 0.0 109.501 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 31.2 tp -71.8 -40.84 68.9 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 6.2 pt -66.3 -43.52 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.99 -26.15 68.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.868 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.477 HD21 ' HG2' ' A' ' 39' ' ' GLU . 6.5 t30 -97.05 -62.22 1.29 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.477 ' HG2' HD21 ' A' ' 38' ' ' ASN . 26.1 mm-40 -91.94 -52.91 4.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -173.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 4.1 mp -67.18 -33.78 76.13 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.406 -170.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -122.68 74.88 1.22 Allowed 'General case' 0 N--CA 1.42 -1.973 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.189 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -119.69 14.93 12.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.224 -1.353 . . . . 0.0 107.377 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -110.51 87.37 2.51 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.652 -1.158 . . . . 0.0 107.997 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.95 70.04 9.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.773 0.797 . . . . 0.0 110.724 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -124.99 -77.79 0.59 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.546 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.52 -33.61 60.75 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.672 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm 58.44 76.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.326 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -93.45 -13.58 27.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 122.064 0.935 . . . . 0.0 109.438 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.24 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.98 -40.76 63.99 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 112.14 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.93 -55.83 4.35 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.048 0.928 . . . . 0.0 110.608 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 79' ' ' MET . 58.0 t -72.13 -38.08 61.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 57' ' ' MET . 37.6 t -56.3 -41.09 69.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 118.084 0.402 . . . . 0.0 111.771 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.94 -44.91 95.79 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.06 0.457 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.34 -36.15 83.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.541 0.686 . . . . 0.0 109.838 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.556 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 12.2 t -62.92 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 C-N-CA 124.773 1.229 . . . . 0.0 110.597 174.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -66.38 -29.56 69.76 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.019 0.438 . . . . 0.0 110.607 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -73.59 -53.26 10.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.963 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -62.31 -34.78 77.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.754 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 3.5 tp -44.43 -40.99 5.9 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 126.266 1.826 . . . . 0.0 110.836 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.32 -49.78 3.28 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.717 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -46.82 43.55 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -72.18 -32.3 66.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.427 ' HA3' ' CE ' ' A' ' 29' ' ' LYS . . . -125.68 -172.94 13.51 Favored Glycine 0 N--CA 1.438 -1.224 0 C-N-CA 119.624 -1.274 . . . . 0.0 113.562 -177.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.35 -51.27 4.44 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.68 42.15 0.02 OUTLIER Glycine 0 C--N 1.283 -2.403 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 156.13 45.03 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 124.176 0.99 . . . . 0.0 110.78 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 94.4 m -141.27 139.78 33.76 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.806 171.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.21 163.4 24.79 Favored 'General case' 0 C--N 1.277 -2.578 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -64.9 -23.49 67.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 117.938 0.335 . . . . 0.0 111.27 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.32 -35.18 78.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.09 -0.644 . . . . 0.0 109.66 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.54 -29.39 37.16 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.527 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -58.58 -44.88 89.95 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 176.107 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -50.02 72.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.651 172.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -55.56 -54.21 46.84 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.748 -177.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -64.12 -40.52 96.37 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.06 -43.19 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.028 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.583 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -67.9 -29.38 68.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.66 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 75' ' ' ALA 0.293 23.6 ptt? -85.35 -34.63 21.76 Favored 'General case' 0 N--CA 1.425 -1.702 0 C-N-CA 118.594 -1.243 . . . . 0.0 113.417 177.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.1 m -76.32 -37.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -84.83 -53.13 5.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.254 0.55 . . . . 0.0 111.226 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 21.0 m -89.99 -70.33 0.67 Allowed 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.125 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 54.75 38.41 30.09 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.662 0.785 . . . . 0.0 110.365 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m 75.32 -9.93 1.32 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.214 1.406 . . . . 0.0 112.773 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -85.25 141.29 30.21 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 124.988 1.315 . . . . 0.0 111.797 -173.416 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 CA--C 1.492 -1.268 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 41.5 tt0 . . . . . 0 N--CA 1.433 -1.305 0 O-C-N 126.064 2.103 . . . . 0.0 105.44 -171.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 57.1 m . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 120.856 0.36 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 6.8 tp10 -81.65 -39.93 23.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -175.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 73' ' ' PHE . 3.7 mm? -67.42 -25.28 65.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.38 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' B' ' 1' ' ' SER . 37.4 tt0 -56.83 -60.53 3.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.445 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 17.7 ptpt -60.93 -29.88 69.88 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.446 -176.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.57 -52.33 13.84 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -65.75 -43.36 89.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.66 -33.49 63.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -47.21 79.01 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.863 0.364 . . . . 0.0 110.454 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.12 -40.11 84.4 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.764 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 pt -83.52 -41.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.653 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 20.9 t70 -68.73 -41.35 79.1 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.749 0.309 . . . . 0.0 111.364 -175.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.25 -31.64 47.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.33 -45.69 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.52 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 73.7 t60 -58.46 -44.36 89.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.937 176.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.7 mt-30 -51.07 -29.01 11.74 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.595 0.559 . . . . 0.0 112.5 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -84.09 87.06 7.13 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -103.85 122.9 46.11 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.458 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.499 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.16 165.0 46.52 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -37.92 73.37 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 117.583 0.691 . . . . 0.0 109.635 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -151.41 -64.08 0.18 Allowed 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.097 0.559 . . . . 0.0 110.784 172.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.34 96.15 Favored Glycine 0 CA--C 1.501 -0.789 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 26' ' ' LYS . 21.5 m-20 -80.97 -0.17 38.26 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 121.201 0.524 . . . . 0.0 110.015 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -94.52 -20.15 19.9 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -93.94 -56.17 2.97 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 48.0 mtmt -120.44 130.95 54.55 Favored 'General case' 0 N--CA 1.42 -1.964 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.51 -34.39 60.81 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -171.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 71.6 139.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.71 1.204 . . . . 0.0 110.079 -172.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.465 ' CE ' ' HA3' ' B' ' 64' ' ' GLY . 44.9 mttm -73.03 -19.07 61.26 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' B' ' 33' ' ' LYS . 12.7 m -60.44 -28.42 68.27 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.914 174.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -85.56 -31.91 22.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.586 -0.696 . . . . 0.0 109.221 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.36 -28.78 70.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.934 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 30' ' ' SER 0.263 0.0 OUTLIER -66.11 -23.03 66.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.715 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.43 -38.47 49.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.071 0.939 . . . . 0.0 108.736 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 31.2 tp -65.59 -40.06 92.26 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.201 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 6.6 pt -66.93 -42.21 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -63.79 -27.03 68.91 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.93 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -97.51 -57.62 2.2 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -94.85 -53.58 3.79 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 4.2 mp -65.95 -36.91 84.64 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.567 -170.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -121.73 77.17 1.33 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 118.424 -1.311 . . . . 0.0 108.79 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -121.17 18.37 11.56 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -114.17 87.44 2.63 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.91 66.81 7.03 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.481 0.658 . . . . 0.0 110.358 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.07 -68.23 0.9 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.622 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.62 -33.04 28.02 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.331 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm 57.36 80.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 124.053 0.941 . . . . 0.0 111.899 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -98.41 -15.05 19.81 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.125 0.964 . . . . 0.0 109.237 176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.13 -33.74 67.69 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.839 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -53.76 -41.85 67.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.192 0.52 . . . . 0.0 111.816 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.28 -54.28 5.37 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.906 0.86 . . . . 0.0 110.798 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 79' ' ' MET . 54.5 t -74.27 -38.64 48.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -168.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' B' ' 57' ' ' MET . 26.5 t -56.18 -42.48 73.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 118.034 0.379 . . . . 0.0 111.558 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.48 -42.18 98.38 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 111.614 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.33 -34.99 75.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.427 0.632 . . . . 0.0 109.777 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.603 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 10.6 t -62.86 -42.67 97.31 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.796 0 C-N-CA 124.332 1.053 . . . . 0.0 110.36 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.1 mmt -69.62 -20.52 63.61 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.374 0.607 . . . . 0.0 110.951 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -80.76 -56.63 4.01 Favored 'General case' 0 N--CA 1.432 -1.331 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 p -59.78 -34.9 73.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.474 0.71 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 3.6 tp -45.07 -40.57 6.85 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.889 1.676 . . . . 0.0 110.706 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -106.88 -45.73 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.218 -1.355 . . . . 0.0 113.284 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.18 -47.6 19.86 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -73.38 -31.62 64.01 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -170.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.465 ' HA3' ' CE ' ' B' ' 29' ' ' LYS . . . -124.07 -172.18 13.62 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 119.353 -1.403 . . . . 0.0 113.16 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -102.6 -46.08 4.85 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 123.669 0.788 . . . . 0.0 111.379 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.92 41.7 0.02 OUTLIER Glycine 0 C--N 1.285 -2.271 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 154.72 47.9 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 124.222 1.009 . . . . 0.0 110.769 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.412 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 74.6 m -139.96 145.24 37.62 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.332 171.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -134.21 164.05 28.25 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -63.57 -24.7 67.92 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.363 0.265 . . . . 0.0 111.307 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.53 -35.53 80.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.753 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 47.1 mt-10 -82.28 -28.8 31.55 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 0.6 OUTLIER -58.76 -44.98 90.73 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 175.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -47.69 82.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.748 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -56.41 -56.08 25.54 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.256 -177.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -63.35 -40.56 97.61 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.86 -42.94 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.138 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.604 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.49 -30.01 68.75 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.566 -177.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' B' ' 75' ' ' ALA 0.295 23.7 ptt? -85.07 -34.21 22.29 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 118.633 -1.227 . . . . 0.0 113.496 177.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.96 -36.71 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.185 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -85.17 -53.96 4.92 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.403 0.62 . . . . 0.0 111.361 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 18.4 m -89.32 -69.76 0.7 Allowed 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.737 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 56.19 34.98 24.94 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.69 0.796 . . . . 0.0 110.35 -177.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.9 m 76.97 -7.71 1.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.846 1.659 . . . . 0.0 112.389 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.27 144.93 27.16 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 N--CA 1.485 1.313 0 C-N-CA 124.172 0.989 . . . . 0.0 110.801 -173.413 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.463 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 10.4 m . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.15 -46.68 64.21 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.3 tp -80.71 -37.72 30.14 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.279 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.55 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 45.2 mt-10 -51.46 -53.89 32.52 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 123.919 0.762 . . . . 0.0 111.838 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 1' ' ' SER . 21.8 pttm -69.64 -30.28 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.771 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.427 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.78 -44.25 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.65 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -62.46 -47.07 85.64 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.028 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.0 t -59.98 -47.44 91.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.028 178.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.41 75.89 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 60.8 mt -63.87 -44.33 93.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.007 0.432 . . . . 0.0 111.917 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.27 -35.32 15.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-O 121.25 0.547 . . . . 0.0 111.329 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 37.2 t70 -71.26 -38.58 71.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.302 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.8 -32.26 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.379 0.609 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.28 10.69 6.48 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.565 1.174 . . . . 0.0 109.598 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 -33.49 4.82 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.792 175.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 50.9 mt-30 -60.37 -38.23 83.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -47.34 -47.48 25.79 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.983 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.61 -31.91 6.52 Favored Glycine 0 N--CA 1.423 -2.215 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 7.0 ppt_? -75.35 -34.94 61.22 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 tp10 -109.74 -50.58 2.97 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.708 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -57.82 -48.89 78.99 Favored Glycine 0 C--O 1.181 -3.193 0 CA-C-N 113.544 -1.662 . . . . 0.0 113.344 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -85.62 12.23 9.17 Favored 'General case' 0 C--N 1.283 -2.301 0 CA-C-N 118.248 1.024 . . . . 0.0 113.373 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -112.19 -40.84 4.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.147 0.498 . . . . 0.0 110.62 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.419 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . 15.8 m-70 -112.4 -28.79 7.75 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.382 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.708 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.0 mmpt? 80.74 -162.42 0.02 OUTLIER 'General case' 0 C--O 1.239 0.519 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -160.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.79 135.78 48.63 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.718 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -53.55 144.88 16.19 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 124.533 1.146 . . . . 0.0 108.395 170.341 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 16.3 ptpt -69.55 -20.08 63.68 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.987 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.595 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 3.1 p -62.44 -32.04 72.85 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.724 173.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -84.67 -17.46 38.46 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 121.908 -0.495 . . . . 0.0 112.148 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' HD11 ' A' ' 32' ' ' LEU . 3.4 tm? -60.86 -22.18 63.99 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.57 -38.24 66.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.71 172.409 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.52 -39.0 88.41 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.011 0.524 . . . . 0.0 110.544 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.6 -59.85 4.08 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.435 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 40' ' ' LEU . 21.4 pt -64.61 -35.02 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -175.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.64 -29.0 70.0 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.195 0.521 . . . . 0.0 111.218 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -110.14 -60.74 1.76 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -97.08 74.35 2.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 122.15 0.976 . . . . 0.0 109.495 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD11 HG23 ' A' ' 36' ' ' ILE . 1.6 tt -170.48 -65.92 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -86.08 89.23 7.75 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.822 -173.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.533 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 36.5 m80 -127.48 -61.04 1.16 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' B' ' 4' ' ' GLU . 42.7 p90 -99.12 -7.91 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 3.0 mm? -91.27 92.28 8.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.608 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -149.37 18.49 0.94 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -126.79 -20.99 4.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -163.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.06 -80.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 C-N-CA 118.875 -1.13 . . . . 0.0 110.546 -172.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -127.11 -71.6 0.67 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 105.653 -1.981 . . . . 0.0 105.653 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 53' ' ' VAL . 33.3 mt-10 55.37 -65.24 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 164.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -51.3 -42.11 60.95 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -74.38 -28.28 61.03 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 122.1 0.953 . . . . 0.0 110.037 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 t -87.51 -28.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.516 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.667 ' O ' HG13 ' A' ' 56' ' ' VAL . 97.9 t -63.68 -50.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.985 0.421 . . . . 0.0 110.774 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.63 -34.52 78.47 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.336 0.588 . . . . 0.0 110.69 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -30.71 57.14 Favored 'General case' 0 N--CA 1.423 -1.818 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.416 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.667 HG13 ' O ' ' A' ' 53' ' ' VAL . 3.0 p -71.06 -39.69 74.78 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -66.35 -33.11 74.98 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.162 0.506 . . . . 0.0 109.852 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.89 -57.12 4.92 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.487 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -65.21 -42.11 93.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 17.6 tp -58.46 -43.24 88.81 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.532 0.682 . . . . 0.0 110.453 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.38 -38.36 65.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.32 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.03 -44.15 85.52 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.811 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.14 -44.15 85.02 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.51 -124.49 6.68 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 116.387 1.315 . . . . 0.0 116.387 168.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 12.6 m-20 -86.32 161.44 18.72 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.455 -176.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.44 9.15 4.61 Favored Glycine 0 C--N 1.312 -0.75 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.817 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 28' ' ' LYS 0.266 1.1 mp0 56.52 160.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 176.169 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -96.74 142.16 29.1 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.912 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.27 163.33 15.42 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.403 ' CD1' ' HB1' ' B' ' 78' ' ' ALA . 12.1 p90 -61.79 -28.86 69.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.165 0.507 . . . . 0.0 111.318 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -66.52 -33.74 76.37 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.458 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 46.5 mt-10 -72.35 -31.85 65.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.55 -47.18 86.55 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.409 ' SD ' HD11 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -70.4 -40.75 73.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.42 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.31 -59.09 5.65 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 90.5 m-85 -61.49 -42.57 98.99 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.01 -45.78 79.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.18 72.39 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.226 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.508 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 26.9 ptt? -78.07 -28.14 48.77 Favored 'General case' 0 C--O 1.198 -1.607 0 C-N-CA 119.215 -0.994 . . . . 0.0 112.673 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 34.2 m -69.44 -37.27 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 C-N-CA 118.145 -1.422 . . . . 0.0 109.386 175.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -67.1 -47.52 70.95 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.281 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 36.4 p -93.53 -80.38 0.39 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 79' ' ' MET . . . 62.25 -78.2 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.276 1.83 . . . . 0.0 114.834 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.96 -8.44 57.98 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.776 -173.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' O ' ' HB ' ' A' ' 82' ' ' THR . 56.3 t-80 -133.35 127.68 34.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.835 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--O 1.208 -1.116 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 . . . . . 0 C--O 1.281 2.763 0 N-CA-C 100.299 -3.963 . . . . 0.0 100.299 -178.414 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 32.4 m . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.86 -48.17 59.83 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 tp -80.36 -38.4 30.52 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.564 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.533 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 45.1 mt-10 -50.3 -53.63 27.24 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 123.819 0.699 . . . . 0.0 112.046 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' B' ' 1' ' ' SER . 23.5 pttm -69.45 -33.97 73.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.6 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -68.2 -44.13 76.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.346 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -61.95 -45.85 91.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.936 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.94 -44.32 97.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.214 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.78 74.91 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 53.8 mt -63.92 -44.63 92.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.133 -175.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.5 mt -79.47 -35.39 16.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.46 -38.8 68.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.45 -32.33 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.89 11.25 5.18 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 122.691 1.234 . . . . 0.0 109.59 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.13 -33.2 4.21 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.967 1.307 . . . . 0.0 110.161 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.65 -32.91 73.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.635 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -49.69 -50.57 43.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -161.58 142.37 10.94 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.93 -33.0 4.49 Favored Glycine 0 N--CA 1.433 -1.542 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -73.82 -30.28 62.62 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 111.619 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.75 -51.78 2.65 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.726 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -56.55 -46.97 87.39 Favored Glycine 0 C--O 1.177 -3.454 0 CA-C-N 113.671 -1.604 . . . . 0.0 113.104 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.1 8.17 21.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 118.362 1.081 . . . . 0.0 113.487 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -108.61 -44.62 4.02 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.245 0.545 . . . . 0.0 110.542 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.431 ' O ' ' HG2' ' B' ' 67' ' ' GLU . 22.4 m-70 -107.36 -29.08 9.48 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.891 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.726 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 8.9 mmpt? 79.85 -163.12 0.02 OUTLIER 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -159.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 7.2 mp -106.82 136.51 46.52 Favored 'General case' 0 C--N 1.287 -2.137 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.499 -176.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -55.24 145.76 20.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 124.541 1.151 . . . . 0.0 108.198 170.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -70.66 -20.01 62.75 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.807 -173.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.575 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 4.2 p -63.38 -30.3 71.46 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 120.712 0.291 . . . . 0.0 110.415 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.93 -17.59 37.28 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.0 111.81 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.43 HD11 ' O ' ' B' ' 32' ' ' LEU . 3.4 tm? -61.28 -22.31 64.73 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 173.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.575 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.45 -38.83 66.79 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.601 172.492 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.42 -36.57 81.52 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.176 0.513 . . . . 0.0 110.983 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.25 -60.15 3.55 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.137 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.415 HG23 HD11 ' B' ' 40' ' ' LEU . 22.7 pt -64.86 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -176.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.12 -32.67 74.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.127 0.489 . . . . 0.0 110.89 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -108.32 -61.2 1.62 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -96.1 75.07 3.02 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 122.142 0.972 . . . . 0.0 109.333 -175.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.42 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.8 tt -171.88 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.1 m -85.58 89.95 7.85 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.913 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.55 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 36.2 m80 -131.26 -67.5 0.7 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -92.58 -20.1 21.25 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 117.965 -1.494 . . . . 0.0 110.161 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.94 96.17 6.32 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.527 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -149.43 21.94 0.93 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.66 -25.9 3.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -164.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.46 -80.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 118.811 0.732 . . . . 0.0 111.816 -170.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -129.33 -69.65 0.69 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.532 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 40.6 mt-10 53.37 -68.52 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.787 0 N-CA-C 118.845 2.906 . . . . 0.0 118.845 164.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -46.35 -48.18 18.47 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -167.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.07 -34.36 77.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.265 1.031 . . . . 0.0 110.103 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 t -83.78 -25.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.401 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.644 ' O ' HG13 ' B' ' 56' ' ' VAL . 96.5 t -65.02 -47.94 86.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-O 120.693 0.282 . . . . 0.0 111.098 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.88 -35.5 76.95 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.661 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -71.99 -32.07 66.87 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.644 HG13 ' O ' ' B' ' 53' ' ' VAL . 3.7 p -70.81 -40.69 76.97 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.9 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.6 mmt -64.12 -41.5 97.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.41 -54.96 32.61 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.818 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -67.54 -41.55 84.11 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.2 tp -58.67 -44.99 90.36 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 123.642 0.589 . . . . 0.0 110.786 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.55 -35.75 58.05 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.736 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.52 -46.28 90.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.97 -49.04 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.78 -113.18 3.62 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 170.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.467 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 9.3 m-20 -92.75 169.44 10.48 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.847 -174.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.34 14.22 7.13 Favored Glycine 0 C--N 1.315 -0.585 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.17 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' B' ' 28' ' ' LYS 0.257 1.3 mp0 54.72 162.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 177.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 58.0 m -100.79 139.59 36.26 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.275 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.74 163.55 15.68 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 173.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -58.91 -31.1 68.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.256 0.551 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.66 -34.14 77.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.902 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.461 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 51.0 mt-10 -72.79 -32.27 65.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.614 ' O ' HG11 ' B' ' 77' ' ' VAL . 1.4 t80 -59.3 -48.17 82.63 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -41.45 77.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -59.17 5.67 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 89.3 m-85 -61.39 -41.84 97.76 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.614 HG11 ' O ' ' B' ' 73' ' ' PHE . 7.3 p -68.97 -45.99 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.413 ' N ' HG13 ' B' ' 77' ' ' VAL . . . -70.14 -32.77 70.91 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.856 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.564 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 27.0 ptt? -78.87 -25.63 43.92 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.515 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' B' ' 49' ' ' GLU . 34.2 m -71.44 -35.98 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.062 174.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m -67.8 -49.47 62.16 Favored 'General case' 0 N--CA 1.412 -2.356 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -92.85 -80.06 0.38 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' B' ' 79' ' ' MET . . . 62.18 -84.38 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.972 1.709 . . . . 0.0 114.282 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.7 m -75.84 -22.39 56.3 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.01 -173.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -123.62 121.33 35.29 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.298 -1.658 0 O-C-N 123.933 0.77 . . . . 0.0 108.949 178.747 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.0 tp10 -73.78 -47.69 37.07 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.9 -29.92 35.53 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -177.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.53 -52.01 65.14 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.247 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 52.8 pttt -68.33 -26.78 65.78 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.155 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.583 ' O ' HD11 ' A' ' 10' ' ' LEU . . . -67.52 -53.1 31.47 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.744 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -61.1 -40.14 92.61 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 109.934 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -40.56 89.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.583 HD11 ' O ' ' A' ' 6' ' ' ALA . 3.5 mp -62.89 -46.55 87.32 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.243 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.511 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 24.9 pt -72.29 -23.95 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.47 -27.99 29.08 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.717 0.294 . . . . 0.0 110.856 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 10' ' ' LEU . 6.0 p -68.77 -26.03 31.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.744 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 15.3 m-85 -65.66 -44.62 85.74 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.05 -39.29 81.57 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.105 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -65.57 -23.16 66.78 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -90.65 -172.48 3.41 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -73.2 167.96 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -173.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 23' ' ' ASP . . . 111.44 127.49 5.06 Favored Glycine 0 N--CA 1.414 -2.782 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.451 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -34.63 10.0 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 176.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.74 -82.23 0.48 Allowed 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.7 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.1 99.44 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.998 -0.546 . . . . 0.0 114.403 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 2.5 m-20 -81.99 -14.78 55.5 Favored 'General case' 0 C--O 1.2 -1.549 0 CA-C-N 117.218 0.509 . . . . 0.0 110.268 -173.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -81.81 -21.5 37.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.914 0.864 . . . . 0.0 109.507 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -104.45 -41.65 5.68 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.352 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 9.3 mmpt? -118.52 95.05 4.7 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 23' ' ' ASP . 3.3 mm? -58.05 -35.66 71.66 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -166.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 13.1 mptt 83.87 126.87 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 125.152 1.381 . . . . 0.0 109.103 -166.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 12.3 ptmt -64.56 -18.58 64.98 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.547 -177.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 8.5 m -63.98 -28.53 69.88 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.259 173.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.35 -32.37 64.5 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.28 -29.84 69.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.141 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -59.51 -51.77 68.45 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.384 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.69 -29.57 68.87 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.111 0.481 . . . . 0.0 111.3 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 3.1 tm? -61.72 -55.62 28.37 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.861 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 32' ' ' LEU . 11.9 pt -64.95 -35.18 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -37.39 60.96 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 7.4 t30 -101.27 -45.09 5.46 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.73 -34.98 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -173.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -75.23 -64.87 0.97 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.709 0.766 . . . . 0.0 108.941 -173.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -92.13 37.81 0.99 Allowed 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.412 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 19.8 t-80 -75.78 88.48 2.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.933 0.397 . . . . 0.0 110.515 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 63.81 18.03 10.89 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.797 1.239 . . . . 0.0 112.425 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 tp -143.54 81.03 1.69 Allowed 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.89 -78.96 0.54 Allowed 'General case' 0 C--O 1.186 -2.255 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.079 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.06 103.3 9.85 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 73.0 mt -135.74 -64.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.1 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -158.31 -23.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.449 1.099 . . . . 0.0 113.111 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -60.75 -33.8 73.47 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 126.947 2.099 . . . . 0.0 113.543 -176.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.47 -35.3 52.35 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.96 -45.64 84.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.61 0.719 . . . . 0.0 109.16 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG1' HG12 ' A' ' 80' ' ' VAL . 39.9 t -74.64 -31.79 27.83 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.504 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 76.5 t -57.81 -43.87 85.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.054 0.541 . . . . 0.0 111.128 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.7 -39.78 94.24 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.519 0.676 . . . . 0.0 110.573 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -67.09 -39.21 86.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.846 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.25 -45.78 97.97 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 125.078 1.351 . . . . 0.0 110.466 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.1 mmt -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.501 0.191 . . . . 0.0 111.149 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.65 -59.5 4.2 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.5 p -61.81 -45.08 95.4 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -50.68 -50.18 55.47 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.864 0.866 . . . . 0.0 110.537 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.19 -42.38 26.18 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.589 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.58 -46.33 88.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.574 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.31 -60.71 2.25 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.187 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.7 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 124.051 0.844 . . . . 0.0 114.773 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -61.24 -31.25 71.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.352 0.596 . . . . 0.0 111.721 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 99.2 3.9 56.57 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.58 -178.24 6.22 Favored 'General case' 0 N--CA 1.409 -2.508 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.453 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 6.9 t -157.4 155.71 30.98 Favored 'General case' 0 N--CA 1.415 -2.193 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 171.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -140.02 171.81 13.66 Favored 'General case' 0 C--N 1.274 -2.682 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -60.71 -29.27 69.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.521 0.513 . . . . 0.0 110.025 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -63.91 -42.86 97.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.197 176.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 42.4 mt-10 -71.13 -39.28 72.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.881 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.634 ' O ' HG13 ' A' ' 77' ' ' VAL . 7.3 m-85 -55.17 -46.02 75.78 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 123.48 0.488 . . . . 0.0 109.793 174.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.469 ' SD ' HD23 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -64.1 -51.98 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.527 0.517 . . . . 0.0 110.801 176.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.76 -59.36 4.97 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -60.49 -45.62 93.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -75.06 -35.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.74 -28.04 44.87 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.718 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.8 ptm -70.47 -40.02 73.9 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.425 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.476 ' HB ' ' HB2' ' A' ' 49' ' ' GLU . 34.1 m -72.83 -50.61 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.986 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -85.01 -32.43 22.94 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -111.22 -57.82 2.19 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.4 -48.65 71.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -172.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.1 m -81.95 -13.44 57.48 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -97.1 -24.85 15.56 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.232 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.56 1.544 . . . . 0.0 111.995 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -171.732 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.6 tp10 -76.87 -42.29 40.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.75 -30.64 26.51 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.93 -56.08 18.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.945 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 55.5 pttt -64.68 -29.71 70.71 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.424 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.605 ' O ' HD11 ' B' ' 10' ' ' LEU . . . -65.21 -51.93 57.9 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.451 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -62.04 -39.14 91.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.949 0.404 . . . . 0.0 109.986 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.96 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.104 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.21 98.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.672 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.605 HD11 ' O ' ' B' ' 6' ' ' ALA . 3.6 mp -62.71 -45.52 92.34 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.473 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.477 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 24.9 pt -73.33 -23.89 20.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -176.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.29 -28.82 28.84 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.577 HG12 ' O ' ' B' ' 10' ' ' LEU . 5.4 p -68.41 -26.99 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.676 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.477 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 16.1 m-85 -64.93 -44.73 88.52 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.61 -40.58 83.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.296 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.55 -15.46 63.67 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 176.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -95.4 -173.81 3.01 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.0 p -71.05 163.29 27.88 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.278 0.561 . . . . 0.0 112.469 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.531 ' CA ' ' HB2' ' B' ' 23' ' ' ASP . . . 116.77 128.7 4.19 Favored Glycine 0 N--CA 1.415 -2.735 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.068 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -35.14 9.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.93 -78.59 0.51 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.624 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.06 91.38 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 114.579 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.531 ' HB2' ' CA ' ' B' ' 19' ' ' GLY . 9.2 m-20 -78.1 -17.96 56.29 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-N 117.44 0.62 . . . . 0.0 110.185 -173.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -79.12 -24.34 43.46 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.794 0.807 . . . . 0.0 109.943 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -103.07 -40.76 6.34 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.579 0.704 . . . . 0.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 8.8 mmpt? -119.28 94.18 4.34 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.5 mm? -57.67 -34.93 69.91 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -167.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.427 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.2 mptt 80.77 122.82 0.05 OUTLIER 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.364 1.066 . . . . 0.0 109.278 -168.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.498 ' N ' ' HB2' ' B' ' 68' ' ' CYS . 11.7 ptmt -59.35 -18.4 37.96 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.554 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 15.0 m -64.94 -31.58 72.89 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 122.283 -0.261 . . . . 0.0 110.303 173.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.5 -30.9 67.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.244 0.545 . . . . 0.0 109.571 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.478 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -61.22 -30.42 70.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.082 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.3 OUTLIER -59.93 -50.78 72.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.352 175.1 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.13 -34.88 79.46 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 120.972 0.415 . . . . 0.0 111.152 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.433 HD13 ' C ' ' B' ' 35' ' ' LEU . 3.2 tm? -58.03 -55.59 32.94 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.286 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.478 HG12 ' O ' ' B' ' 32' ' ' LEU . 13.7 pt -66.14 -34.68 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -33.13 54.71 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' B' ' 42' ' ' HIS . 6.9 t30 -104.04 -50.06 3.47 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -176.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.96 -32.9 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -74.9 -66.99 0.69 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.053 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -92.66 39.37 1.03 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.137 -172.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' B' ' 38' ' ' ASN . 25.4 t-80 -76.32 90.46 3.19 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 122.183 -0.323 . . . . 0.0 110.365 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 59.84 21.89 10.81 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.577 1.151 . . . . 0.0 111.966 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.32 79.21 1.49 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -103.24 -89.33 0.39 Allowed 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.588 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 103.35 1.78 Allowed 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.52 0.728 . . . . 0.0 112.957 -171.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -135.57 -78.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -154.78 16.09 0.43 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.379 1.071 . . . . 0.0 109.786 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.47 ' O ' HG22 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -97.11 -35.95 10.64 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.39 -174.1 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -54.19 -35.0 61.88 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.48 -48.97 75.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.426 ' CG1' HG12 ' B' ' 80' ' ' VAL . 45.3 t -70.05 -34.38 59.23 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.583 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.406 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' B' ' 57' ' ' MET . 77.5 t -57.77 -42.32 81.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 C-N-CA 123.108 0.563 . . . . 0.0 111.232 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.88 -37.92 79.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.265 0.555 . . . . 0.0 110.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.37 -38.6 87.92 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.927 0.87 . . . . 0.0 109.424 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.63 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 C-N-CA 124.95 1.3 . . . . 0.0 110.528 172.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -64.18 -28.58 69.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -71.48 -61.16 1.87 Allowed 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -60.95 -43.1 99.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 16.6 tp -51.35 -49.46 61.38 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.817 0.847 . . . . 0.0 110.78 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -83.53 -38.12 22.14 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.478 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -65.13 -49.49 69.71 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.434 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.35 -61.42 2.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.686 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.73 80.95 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 O-C-N 123.962 0.789 . . . . 0.0 114.827 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.82 -22.24 63.31 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 122.069 -0.665 . . . . 0.0 110.804 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.61 5.32 75.06 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -173.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.82 -175.12 5.0 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.498 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 7.6 t -157.93 161.29 38.21 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -146.32 170.77 16.11 Favored 'General case' 0 C--N 1.279 -2.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -60.7 -30.18 69.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.93 -39.58 95.02 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.949 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 45.5 mt-10 -75.02 -39.74 60.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.531 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.638 ' O ' HG13 ' B' ' 77' ' ' VAL . 7.6 m-85 -54.91 -46.5 74.86 Favored 'General case' 0 CA--C 1.502 -0.875 0 O-C-N 123.488 0.492 . . . . 0.0 109.788 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.435 ' SD ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.59 -52.57 60.39 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.466 0.479 . . . . 0.0 110.859 176.739 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.78 -59.26 5.13 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -59.96 -47.66 84.88 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.638 HG13 ' O ' ' B' ' 73' ' ' PHE . 7.3 p -73.73 -35.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.848 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.86 52.94 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.29 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.5 ptm -74.68 -34.3 62.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.761 -0.775 . . . . 0.0 110.896 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.458 HG21 HD13 ' B' ' 40' ' ' LEU . 35.9 m -76.68 -46.64 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.7 m -85.81 -36.91 19.77 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -110.29 -55.48 2.46 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -169.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.48 -59.68 4.15 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 m -75.5 -18.58 59.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.023 0.439 . . . . 0.0 111.624 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.82 -24.44 23.72 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.555 1.166 0 C-N-CA 125.962 1.705 . . . . 0.0 110.917 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.78 -49.98 70.81 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-O 121.506 0.67 . . . . 0.0 110.626 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.11 -27.81 22.88 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -54.96 -53.27 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.139 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -65.04 -26.5 68.29 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.356 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -52.02 45.78 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.362 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -64.86 -42.25 95.01 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.57 -42.82 92.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.698 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.33 85.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.588 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.72 -43.98 69.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.184 0.516 . . . . 0.0 111.155 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 -45.73 24.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.026 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 23.8 t70 -70.93 -31.79 68.5 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.14 -34.32 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -63.7 -42.63 97.94 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.8 t60 -55.09 -38.8 68.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.068 1.347 . . . . 0.0 111.607 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -66.38 150.73 48.45 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 m -76.6 22.76 0.17 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' HA3' ' HG ' ' A' ' 27' ' ' LEU . . . -124.88 4.74 8.47 Favored Glycine 0 C--N 1.305 -1.156 0 C-N-CA 119.645 -1.264 . . . . 0.0 111.275 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 5.4 ppt_? -59.18 -21.53 59.58 Favored 'General case' 0 C--O 1.209 -1.057 0 C-N-CA 124.219 1.008 . . . . 0.0 113.059 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.72 -45.6 0.88 Allowed 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.28 -30.08 76.82 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.564 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 23.7 t70 -83.77 -94.82 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.041 0.92 . . . . 0.0 112.535 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -117.04 15.64 15.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t60 73.64 12.16 4.59 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -166.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 52.9 mtmt -152.25 173.82 14.54 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HG ' ' HA3' ' A' ' 19' ' ' GLY . 6.8 mp -116.9 147.04 42.55 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 118.835 0.743 . . . . 0.0 110.94 -171.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -59.57 154.4 17.59 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 99.2 mttt -65.28 -20.66 66.51 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.117 0.484 . . . . 0.0 111.82 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.3 m -61.48 -29.68 70.13 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 123.53 0.732 . . . . 0.0 110.411 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.37 -29.95 25.83 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.752 0.787 . . . . 0.0 109.217 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.89 -30.2 70.72 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.38 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 30' ' ' SER . 6.2 ttmt -51.63 -54.81 23.84 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.25 1.42 . . . . 0.0 110.725 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.39 -36.33 83.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.241 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 12.2 tp -61.14 -53.11 61.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.947 177.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.0 pt -67.91 -25.93 33.52 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -35.07 66.43 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 174.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -112.46 -67.5 0.99 Allowed 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.275 0.56 . . . . 0.0 112.061 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.276 58.2 mm-40 -87.82 74.13 9.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 123.245 1.498 . . . . 0.0 113.678 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' HG ' HG21 ' A' ' 77' ' ' VAL . 4.1 tt -128.0 -60.81 1.13 Allowed 'General case' 0 C--N 1.269 -2.913 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 171.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -169.96 47.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.715 1.606 . . . . 0.0 107.553 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 m80 73.5 -71.81 0.13 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.638 1.175 . . . . 0.0 112.217 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.52 -79.83 0.47 Allowed 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.374 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 73.2 mt 63.28 90.95 0.08 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.501 1.12 . . . . 0.0 109.966 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -133.59 5.77 3.72 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.77 1.67 4.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -168.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.624 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 3.1 mp -100.36 -72.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 118.384 -1.326 . . . . 0.0 110.274 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 1.7 tmmm? -153.22 -29.04 0.14 Allowed 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.439 0.638 . . . . 0.0 109.577 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' OE1' ' HB ' ' A' ' 47' ' ' ILE . 2.9 pm0 -55.55 -27.36 48.56 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.191 1.797 . . . . 0.0 112.647 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -28.05 13.66 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.671 0.788 . . . . 0.0 112.92 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.54 -53.72 6.6 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.96 -37.47 79.87 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.271 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' A' ' 57' ' ' MET . 73.1 t -56.47 -40.81 70.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 123.393 0.433 . . . . 0.0 110.572 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.52 -46.37 69.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.455 0.645 . . . . 0.0 109.784 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -62.96 -36.43 83.45 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.301 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.0 t -63.52 -47.16 92.8 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.578 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.131 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.0 mmt -58.76 -33.33 70.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.153 0.433 . . . . 0.0 112.144 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.77 -59.93 2.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.939 0.399 . . . . 0.0 110.396 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 p -61.65 -41.73 97.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.418 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.9 tp -53.42 -51.03 63.92 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 125.247 1.419 . . . . 0.0 109.84 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.34 -40.64 73.97 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.14 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -76.99 -48.26 18.47 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.597 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -82.58 -33.52 28.03 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 123.175 0.59 . . . . 0.0 112.508 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.63 49.48 4.19 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.961 -0.638 . . . . 0.0 114.649 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.44 -25.61 31.06 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.597 0.713 . . . . 0.0 109.76 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.53 -63.99 1.4 Allowed Glycine 0 N--CA 1.432 -1.577 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.461 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -172.09 178.12 3.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.555 0.342 . . . . 0.0 110.663 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.1 t -131.72 120.78 23.2 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.05 168.1 11.62 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -66.15 -24.6 66.69 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.379 0.609 . . . . 0.0 109.608 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.62 -37.99 88.14 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.045 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -83.53 -27.06 29.6 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.752 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' O ' HG11 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -54.54 -53.42 54.68 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 172.266 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.457 ' HE3' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -60.84 -46.92 88.65 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.201 174.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.33 -56.19 16.49 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.54 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 71.7 m-85 -62.69 -46.05 89.92 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.588 HG11 ' O ' ' A' ' 73' ' ' PHE . 7.6 p -70.03 -30.78 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.798 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.457 ' HB2' ' HE3' ' A' ' 74' ' ' MET . . . -79.3 -39.86 31.84 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.515 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.446 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 27.5 ptm -68.68 -36.97 79.21 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 HD11 ' A' ' 40' ' ' LEU . 27.8 m -65.35 -31.97 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.513 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -78.67 -23.67 45.55 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.057 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -116.12 -88.16 0.59 Allowed 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.981 -0.449 . . . . 0.0 112.138 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.78 76.61 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.489 1.516 . . . . 0.0 113.857 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -169.36 -57.27 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -155.4 -70.91 0.12 Allowed 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -160.3 -98.39 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.339 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 97.3 m-85 -104.38 11.04 35.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 122.788 0.435 . . . . 0.0 110.907 -178.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -49.79 -42.04 45.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.4 -0.12 57.25 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -142.4 -60.31 0.45 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 43.5 tt0 . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -166.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.53 -50.34 65.59 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.413 0.625 . . . . 0.0 110.787 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.6 -28.72 24.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -55.06 -53.6 53.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.933 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -67.95 -20.61 65.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.585 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -52.04 18.52 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.183 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.408 ' HG3' HG22 ' A' ' 77' ' ' VAL . 17.3 tmm? -64.36 -43.32 94.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.88 -43.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.727 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.29 87.08 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.654 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 84.9 mt -53.23 -43.56 67.39 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.174 0.511 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.65 -45.33 23.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.899 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 21.3 t70 -67.21 -35.46 79.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.09 -34.6 64.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -63.84 -42.52 97.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 6.2 t60 -55.0 -39.34 68.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.764 1.225 . . . . 0.0 111.356 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 -40.49 97.77 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -66.56 149.77 49.98 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -74.32 11.56 0.94 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -170.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.91 3.28 27.26 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 119.716 -1.23 . . . . 0.0 111.613 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' B' ' 20' ' ' ARG . 6.1 ppt_? -58.16 -19.21 31.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.293 1.037 . . . . 0.0 113.411 -176.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -133.08 -50.15 0.87 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.083 0.468 . . . . 0.0 109.826 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.36 -35.89 89.63 Favored Glycine 0 C--N 1.314 -0.663 0 N-CA-C 115.717 1.047 . . . . 0.0 115.717 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.561 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 19.6 t70 -78.03 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.849 0.825 . . . . 0.0 112.476 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -125.86 22.28 7.45 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 t60 68.04 13.5 9.13 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 51.0 mtmt -153.87 173.21 16.23 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -117.42 147.2 42.9 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 118.843 0.747 . . . . 0.0 110.476 -171.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -60.99 158.39 13.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 99.4 mttt -67.71 -22.87 65.24 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -177.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 2.3 p -62.55 -26.68 68.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.611 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.08 -30.47 25.99 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.772 0.796 . . . . 0.0 109.316 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.557 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.33 -29.29 70.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.58 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' B' ' 30' ' ' SER . 7.8 ttmt -51.49 -55.38 19.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.235 1.414 . . . . 0.0 110.734 175.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.17 -32.95 74.89 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.769 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' B' ' 73' ' ' PHE . 14.2 tp -65.64 -50.54 64.6 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.611 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.557 HG12 ' O ' ' B' ' 32' ' ' LEU . 9.2 pt -69.11 -24.82 28.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -39.65 64.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.417 173.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -113.41 -65.37 1.19 Allowed 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.403 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.272 60.0 mm-40 -88.55 74.6 8.47 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 123.128 1.442 . . . . 0.0 113.511 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.475 HD11 HG22 ' B' ' 80' ' ' VAL . 4.0 tt -129.72 -59.44 1.07 Allowed 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 103.318 -2.845 . . . . 0.0 103.318 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -171.22 47.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.663 1.585 . . . . 0.0 107.877 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.21 -73.42 0.1 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.396 1.078 . . . . 0.0 112.611 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.36 -78.0 0.52 Allowed 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.434 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.429 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 68.3 mt 61.18 95.22 0.04 OUTLIER 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.445 1.09 . . . . 0.0 110.463 -172.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -140.94 5.75 1.96 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.695 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -129.07 -6.72 4.91 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.549 ' HB ' ' OE1' ' B' ' 49' ' ' GLU . 3.1 mp -96.59 -77.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.934 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.515 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 1.7 tmmm? -148.53 -27.94 0.31 Allowed 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.883 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.549 ' OE1' ' HB ' ' B' ' 47' ' ' ILE . 3.3 pm0 -55.45 -24.3 30.09 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 125.56 1.544 . . . . 0.0 112.068 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -27.69 17.68 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.571 0.749 . . . . 0.0 112.751 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.13 -53.83 6.05 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.2 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.147 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.583 ' O ' ' HG2' ' B' ' 57' ' ' MET . 74.1 t -56.08 -42.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 O-C-N 123.348 0.405 . . . . 0.0 110.272 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.3 -44.22 84.07 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.397 0.617 . . . . 0.0 110.853 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.91 -36.23 81.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.134 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.567 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.7 t -61.95 -47.14 94.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.561 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.21 172.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.583 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -58.32 -33.6 69.68 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.79 -58.5 4.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.111 0.481 . . . . 0.0 111.269 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 p -63.87 -39.79 95.03 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.044 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.5 tp -53.22 -53.2 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 125.248 1.419 . . . . 0.0 110.028 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.72 -41.87 74.74 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.692 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -74.81 -49.69 19.84 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.83 -36.36 42.64 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.13 40.42 2.53 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -77.79 -23.93 49.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.711 0.767 . . . . 0.0 109.638 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.93 -62.29 1.85 Allowed Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -176.67 175.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.473 0.709 . . . . 0.0 110.264 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 44.5 t -130.49 123.41 29.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.35 167.72 11.01 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.537 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -64.3 -25.87 68.23 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.13 -38.76 92.21 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.258 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.97 -25.88 27.49 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.272 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.596 ' O ' HG11 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -54.87 -53.05 60.38 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.472 ' HE3' ' HB2' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -60.94 -47.02 88.36 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.158 174.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.39 -55.78 19.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.633 0.583 . . . . 0.0 112.47 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.453 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 71.5 m-85 -62.79 -45.63 91.75 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.596 HG11 ' O ' ' B' ' 73' ' ' PHE . 7.4 p -70.5 -30.25 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.9 0.381 . . . . 0.0 111.736 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.472 ' HB2' ' HE3' ' B' ' 74' ' ' MET . . . -79.83 -39.58 30.4 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.724 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.453 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 27.8 ptm -70.14 -36.66 74.9 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.475 HG22 HD11 ' B' ' 40' ' ' LEU . 28.1 m -65.36 -31.02 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.461 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.4 m -79.0 -25.66 43.33 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.051 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.8 p -113.89 -87.94 0.56 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.913 -0.492 . . . . 0.0 112.009 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.54 76.43 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.545 1.538 . . . . 0.0 113.665 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.4 p -167.52 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -148.95 -71.64 0.2 Allowed 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.507 ' CD ' ' H ' ' B' ' 87' ' ' PHE 0.262 0.0 OUTLIER -163.79 -98.31 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.615 0.766 . . . . 0.0 112.629 175.644 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.507 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 96.3 m-85 -102.07 11.64 38.08 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 121.912 -0.492 . . . . 0.0 110.88 -177.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -51.27 -43.01 61.47 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 123.494 0.718 . . . . 0.0 112.445 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -90.39 0.86 57.1 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -143.33 -57.9 0.41 Allowed 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 119.671 -0.812 . . . . 0.0 113.064 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.469 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 42.6 tt0 . . . . . 0 CA--C 1.505 -0.782 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 -167.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.461 ' HB3' ' CD ' ' B' ' 39' ' ' GLU . 24.7 m . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.31 -47.14 83.5 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.112 0.565 . . . . 0.0 111.177 -174.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.693 ' HG ' ' CZ ' ' B' ' 73' ' ' PHE . 2.8 tm? -70.61 -36.19 73.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 1' ' ' SER . 3.3 tm-20 -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.679 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.53 -52.35 63.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.561 0.696 . . . . 0.0 109.624 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 10' ' ' LEU . . . -59.85 -50.35 74.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.275 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.38 -45.71 80.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.793 0.437 . . . . 0.0 111.891 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -31.46 52.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.71 93.44 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 6' ' ' ALA . 6.6 mp -57.11 -49.07 77.03 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.043 0.449 . . . . 0.0 111.592 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 pt -73.06 -36.82 51.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.62 -37.76 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.76 -29.05 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.992 0.901 . . . . 0.0 108.753 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -85.42 9.25 16.17 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.855 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 24.3 t60 -114.0 -46.03 3.03 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -56.54 -50.21 72.53 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.677 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -78.73 125.99 30.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 111.153 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 65.23 41.33 4.48 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-N 114.249 -1.341 . . . . 0.0 107.79 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.86 75.04 0.32 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 113.795 -1.548 . . . . 0.0 113.204 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 6.7 ppt_? -162.3 -34.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 126.399 1.88 . . . . 0.0 106.523 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 34.4 tt0 -105.71 -44.78 4.57 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 15' ' ' HIS . . . -74.33 -4.9 70.45 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.14 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -114.59 36.06 3.97 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -160.64 -56.55 0.05 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.629 -0.67 . . . . 0.0 112.259 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -144.96 21.83 1.59 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 109.568 -173.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.3 mmpt? 66.68 173.97 0.25 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.61 -171.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD12 ' OE2' ' A' ' 21' ' ' GLU . 52.9 tp -111.58 149.0 32.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -171.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -73.59 156.57 37.94 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.214 179.385 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 20.9 ptmt -65.19 -24.33 67.34 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.622 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.414 ' OG ' ' HA2' ' A' ' 64' ' ' GLY . 10.4 m -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.178 0.513 . . . . 0.0 110.268 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.51 -19.61 30.92 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.388 0.613 . . . . 0.0 109.869 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 32' ' ' LEU . 3.3 tm? -62.12 -23.6 66.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.329 1.052 . . . . 0.0 108.736 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HD2' ' HG3' ' A' ' 34' ' ' GLU . 1.5 tmmt? -50.38 -50.14 52.37 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.559 1.144 . . . . 0.0 111.122 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.5 mt-10 -70.15 -29.15 65.99 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.539 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -70.87 -42.75 69.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -67.83 -32.3 55.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.355 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 91.5 m-20 -58.13 -31.65 67.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.867 0.365 . . . . 0.0 111.684 174.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -92.74 -39.23 11.37 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 44.3 mm-40 -96.5 -26.14 15.4 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD23 HG21 ' A' ' 77' ' ' VAL . 1.9 tm? -111.44 -53.71 2.68 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.39 0.614 . . . . 0.0 110.233 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 14.8 m -78.02 165.09 24.45 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 73.04 0.86 3.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.718 1.207 . . . . 0.0 110.259 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 -58.46 0.95 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.38 90.65 6.34 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.19 -19.77 12.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -131.69 82.84 2.05 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.403 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mt -138.44 -84.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.184 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.11 25.04 0.42 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 -176.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.64 -11.52 21.97 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.478 -1.237 . . . . 0.0 113.705 -172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -55.83 -39.84 71.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.86 -50.41 9.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.069 0.937 . . . . 0.0 109.873 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.22 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.367 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.57 ' O ' ' HG2' ' A' ' 57' ' ' MET . 65.8 t -55.63 -41.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 123.155 0.285 . . . . 0.0 111.171 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.87 -43.16 89.16 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.73 0.776 . . . . 0.0 110.269 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.3 -43.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 124.077 0.951 . . . . 0.0 111.152 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.1 mmt -64.32 -32.9 74.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.063 0.458 . . . . 0.0 110.079 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.57 -56.16 8.09 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.75 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -58.81 -41.98 88.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.48 -41.32 80.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.57 -38.37 62.69 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.6 -57.93 4.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.101 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.42 -60.92 2.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' HA2' ' OG ' ' A' ' 30' ' ' SER . . . 74.47 -68.47 1.8 Allowed Glycine 0 C--O 1.251 1.213 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.642 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 67.34 -59.69 0.39 Allowed 'General case' 0 C--O 1.238 0.468 0 C-N-CA 127.003 2.121 . . . . 0.0 113.898 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.29 -33.5 2.36 Favored Glycine 0 C--N 1.285 -2.269 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.0 pt-20 -149.67 156.28 41.62 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.613 ' SG ' ' HB2' ' A' ' 72' ' ' GLU . 13.0 t -102.66 127.95 49.55 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.29 161.56 28.0 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.428 0.633 . . . . 0.0 109.332 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -70.8 -29.27 65.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.953 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.613 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 8.3 mm-40 -64.14 -52.75 57.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.427 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.666 ' CZ ' ' HG ' ' B' ' 3' ' ' LEU . 0.9 OUTLIER -58.88 -45.57 89.89 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 1.6 tpt -54.13 -51.11 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.796 0.685 . . . . 0.0 110.849 176.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -49.53 75.09 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.554 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -62.11 -49.52 75.56 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.62 HG11 ' O ' ' A' ' 73' ' ' PHE . 6.6 p -68.53 -35.92 72.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.054 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.08 63.52 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.861 -0.525 . . . . 0.0 111.428 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.273 22.9 ptt? -79.17 -23.12 44.13 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 118.655 -1.218 . . . . 0.0 112.593 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -79.03 -41.98 23.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.125 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.1 m -73.84 -32.97 63.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.381 0.61 . . . . 0.0 111.66 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -122.08 -58.15 1.74 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.739 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 73.31 143.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.556 1.142 . . . . 0.0 112.781 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.4 m 49.13 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.164 1.386 . . . . 0.0 112.871 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 87' ' ' PHE . 30.4 t-80 -152.95 52.09 0.75 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.6 19.18 0.66 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.798 0.808 . . . . 0.0 110.983 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 85' ' ' HIS . 78.4 m-85 -83.5 100.64 10.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -150.28 -35.04 0.16 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.296 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -91.53 -70.42 0.69 Allowed 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -85.4 -40.18 16.75 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 37.7 mt-10 . . . . . 0 C--O 1.271 2.207 0 O-C-N 124.767 1.292 . . . . 0.0 108.261 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.424 ' HB3' ' CD ' ' A' ' 39' ' ' GLU . 26.3 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.62 -48.14 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.331 0.586 . . . . 0.0 110.237 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.666 ' HG ' ' CZ ' ' A' ' 73' ' ' PHE . 2.8 tm? -69.03 -31.97 71.15 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.608 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.07 -40.86 95.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.343 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.74 -47.74 71.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.554 0.693 . . . . 0.0 109.803 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.467 ' O ' HD13 ' B' ' 10' ' ' LEU . . . -64.06 -51.66 63.03 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.214 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.06 -47.14 78.48 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.902 0.481 . . . . 0.0 111.951 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.81 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.958 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.42 91.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.416 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' B' ' 6' ' ' ALA . 6.5 mp -57.37 -48.2 79.66 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.2 pt -73.77 -35.99 45.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.48 -38.43 55.33 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.21 -29.95 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 122.024 0.916 . . . . 0.0 108.611 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' B' ' 68' ' ' CYS . 40.9 t80 -85.26 9.46 15.17 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.953 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.467 ' HA ' ' O ' ' B' ' 22' ' ' GLY . 22.5 t60 -114.32 -45.21 3.05 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 173.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -56.49 -52.02 66.3 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.226 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -76.3 129.23 36.34 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.846 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.4 m 61.08 42.11 12.89 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 124.403 1.064 . . . . 0.0 108.863 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.68 69.23 0.57 Allowed Glycine 0 C--N 1.341 0.84 0 CA-C-N 113.796 -1.547 . . . . 0.0 113.336 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -156.81 -33.8 0.08 Allowed 'General case' 0 C--N 1.282 -2.342 0 C-N-CA 126.078 1.751 . . . . 0.0 107.249 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 34.9 tt0 -105.2 -44.86 4.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 172.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' B' ' 15' ' ' HIS . . . -73.12 -6.76 69.54 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.054 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.438 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 20.7 t70 -107.95 19.91 19.42 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.686 1.194 . . . . 0.0 108.491 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -147.19 -54.0 0.22 Allowed 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.623 -0.673 . . . . 0.0 112.188 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -145.04 24.13 1.48 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.468 0.651 . . . . 0.0 109.266 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' B' ' 21' ' ' GLU . 6.5 mmpt? 65.4 175.9 0.21 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.309 -171.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.431 HD12 ' OE2' ' B' ' 21' ' ' GLU . 50.2 tp -112.53 149.02 33.27 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -172.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.405 ' HD2' ' OE2' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -72.57 157.0 38.41 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 120.084 -0.647 . . . . 0.0 112.012 178.701 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' B' ' 32' ' ' LEU . 21.3 ptmt -67.27 -24.32 65.77 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.825 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.513 ' OG ' ' HA2' ' B' ' 64' ' ' GLY . 7.5 m -67.61 -31.22 71.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.186 0.517 . . . . 0.0 110.229 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.2 -22.35 28.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.395 0.617 . . . . 0.0 109.712 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.427 ' O ' HD12 ' B' ' 32' ' ' LEU . 3.3 tm? -59.51 -23.44 62.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.347 1.059 . . . . 0.0 108.955 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.475 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 1.5 tmmt? -49.98 -48.01 52.54 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.908 1.283 . . . . 0.0 111.025 174.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.475 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 48.8 mt-10 -74.81 -24.96 58.72 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.888 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -74.82 -42.85 57.26 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.421 HG12 ' O ' ' B' ' 32' ' ' LEU . 4.4 pt -67.21 -30.93 50.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.397 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -57.94 -33.54 68.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -94.73 -31.83 13.61 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 46.9 mm-40 -100.89 -23.25 14.6 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.406 HD23 HG21 ' B' ' 77' ' ' VAL . 1.8 tm? -115.12 -55.31 2.48 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -77.77 164.88 24.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 75.12 -0.15 3.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.99 1.316 . . . . 0.0 110.092 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.39 -61.31 0.92 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.584 0.754 . . . . 0.0 108.973 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.57 86.07 5.49 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -106.77 -20.97 13.18 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -129.72 88.39 2.67 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.243 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mt -140.15 -87.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.897 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.17 23.41 0.74 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.51 -11.38 25.56 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.481 -1.236 . . . . 0.0 114.179 -171.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.07 -41.42 75.1 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -173.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.41 -45.45 16.06 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.135 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.509 -171.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' B' ' 57' ' ' MET . 85.6 t -56.18 -40.88 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.86 -44.11 94.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.609 0.242 . . . . 0.0 111.002 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -64.13 -34.96 79.25 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.792 0.806 . . . . 0.0 109.687 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 t -67.77 -42.9 86.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.978 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -68.33 -26.02 65.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.68 0.752 . . . . 0.0 109.974 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.99 -59.05 2.94 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.877 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -59.14 -42.4 90.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.59 -41.52 77.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.94 -35.0 57.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.42 -55.49 8.92 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.199 -0.909 . . . . 0.0 113.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.89 -63.65 1.1 Allowed 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.513 ' HA2' ' OG ' ' B' ' 30' ' ' SER . . . 75.35 -65.02 2.42 Favored Glycine 0 C--O 1.248 1.004 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.751 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.92 -59.48 0.24 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 127.237 2.215 . . . . 0.0 114.638 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.38 -36.71 1.92 Allowed Glycine 0 C--N 1.285 -2.288 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -147.79 155.36 41.59 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' B' ' 72' ' ' GLU . 17.3 t -100.99 130.9 47.05 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.76 160.33 26.24 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -63.79 -29.62 70.8 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.445 0.641 . . . . 0.0 109.596 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -69.14 -30.28 68.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.044 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.621 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 13.9 mm-40 -64.59 -52.79 55.73 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.693 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -58.42 -46.72 85.91 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' B' ' 74' ' ' MET . 1.8 tpt -53.78 -50.26 66.48 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.763 0.664 . . . . 0.0 110.727 176.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.5 75.04 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.98 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -62.79 -49.08 76.37 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.636 HG11 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -68.55 -35.64 71.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.93 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.38 -37.92 63.31 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.538 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . 0.271 24.0 ptt? -77.09 -22.81 52.2 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 118.812 -1.155 . . . . 0.0 112.652 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -78.5 -40.94 24.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.059 173.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.3 m -74.83 -33.28 62.14 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.277 0.561 . . . . 0.0 111.746 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.9 m -122.03 -60.35 1.58 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.699 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 74.15 141.38 0.06 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.549 1.139 . . . . 0.0 112.667 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.85 -93.73 0.03 OUTLIER 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.194 1.398 . . . . 0.0 112.618 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' B' ' 87' ' ' PHE . 38.9 t-80 -155.76 49.0 0.52 Allowed 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.81 21.74 0.2 Allowed 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.861 0.839 . . . . 0.0 110.558 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' B' ' 85' ' ' HIS . 51.6 m-85 -85.28 102.61 13.5 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -156.12 -34.54 0.09 Allowed 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.473 0.654 . . . . 0.0 109.404 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -88.76 -70.17 0.66 Allowed 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.136 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -88.02 -39.7 14.45 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 38.2 mt-10 . . . . . 0 C--O 1.265 1.889 0 CA-C-O 117.391 -1.29 . . . . 0.0 108.258 -171.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 4' ' ' GLU . 1.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -87.16 -44.49 11.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.944 0.402 . . . . 0.0 110.028 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.38 80.52 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CB ' ' HB2' ' A' ' 1' ' ' SER . 35.3 tt0 -55.46 -52.91 62.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.28 -40.74 82.72 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 123.624 0.577 . . . . 0.0 110.75 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.79 84.42 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -66.14 -48.9 69.28 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.846 0.355 . . . . 0.0 110.371 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.58 -34.01 67.49 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.658 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.55 96.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.765 0.257 . . . . 0.0 110.505 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.73 -42.2 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.296 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 pt -86.04 -25.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 38.2 t70 -80.91 -33.82 33.9 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.653 -0.654 . . . . 0.0 111.866 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.53 -34.54 70.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 172.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.64 -41.28 92.8 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.658 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 43.1 t60 -57.7 -46.97 83.64 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.756 1.222 . . . . 0.0 110.439 173.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 96.8 mt-30 -63.01 -40.65 98.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.912 0.485 . . . . 0.0 111.22 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.92 3.29 8.5 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.909 0.385 . . . . 0.0 111.746 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m 62.81 22.84 13.63 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 124.616 1.166 . . . . 0.0 113.328 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.75 55.52 4.89 Favored Glycine 0 C--O 1.202 -1.874 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.56 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.6 -59.67 1.99 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.64 93.62 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.968 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -93.64 171.14 9.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HZ1' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -78.67 71.47 5.14 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.376 0.608 . . . . 0.0 110.654 -171.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 73.08 -17.68 0.4 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.108 1.763 . . . . 0.0 112.003 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD2' ' HB3' ' A' ' 69' ' ' ASP . 22.8 mtmt -152.26 162.43 41.15 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -95.75 142.23 28.28 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -59.45 136.33 57.94 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HE3' ' OD1' ' A' ' 63' ' ' ASP . 66.0 mttm -56.31 -36.24 68.46 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.665 -177.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.58 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 38.3 m -58.79 -30.71 67.79 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.58 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.61 -16.82 38.01 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -61.07 -22.46 64.63 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.76 -42.97 72.32 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.973 171.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.53 -44.2 97.49 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 122.077 0.941 . . . . 0.0 109.371 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 1.3 tm? -60.44 -57.07 14.31 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 113.515 -1.675 . . . . 0.0 109.469 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG21 ' CD1' ' A' ' 40' ' ' LEU . 12.3 pt -61.9 -34.68 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -64.44 -51.5 62.8 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.611 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -109.55 -71.13 0.77 Allowed 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -90.05 69.05 7.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.54 1.162 . . . . 0.0 110.984 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CD1' HG21 ' A' ' 36' ' ' ILE . 10.1 tt -139.14 -74.93 0.37 Allowed 'General case' 0 C--N 1.281 -2.381 0 CA-C-N 113.224 -1.807 . . . . 0.0 106.499 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 m 178.18 170.64 0.74 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -125.1 26.85 6.84 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-O 121.862 0.839 . . . . 0.0 109.275 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 75.98 131.8 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.972 -1.922 . . . . 0.0 113.565 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -116.49 -80.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -170.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.96 -43.6 5.73 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.286 0.565 . . . . 0.0 110.136 -174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.17 117.57 24.2 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 mm -115.91 85.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 121.926 0.869 . . . . 0.0 109.14 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -119.32 12.18 12.44 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.452 1.12 . . . . 0.0 109.952 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -44.17 87.08 Favored 'General case' 0 C--N 1.265 -3.065 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.48 -42.62 61.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -82.82 -48.51 10.7 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.282 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -72.25 -29.35 31.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.497 ' O ' ' HG2' ' A' ' 57' ' ' MET . 91.9 t -68.85 -31.17 49.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.617 0.722 . . . . 0.0 109.69 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.0 -41.34 62.02 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -65.23 -37.08 86.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' A' ' 76' ' ' PHE . 10.5 p -64.24 -33.64 63.88 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.084 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.4 mmt -65.62 -37.84 87.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.048 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -69.26 -61.37 1.82 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.069 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -55.51 -40.05 71.28 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 tp -54.85 -40.99 70.23 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.72 0.637 . . . . 0.0 111.843 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.46 -38.77 11.25 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.527 0.679 . . . . 0.0 111.313 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -64.48 -26.0 68.24 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.029 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.548 ' OD1' ' HE3' ' A' ' 29' ' ' LYS . 17.2 t70 -52.9 -41.11 64.08 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.19 0.519 . . . . 0.0 110.566 176.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.53 -33.25 4.65 Favored Glycine 0 C--N 1.319 -0.379 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -52.35 -54.56 30.14 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.313 0.557 . . . . 0.0 112.501 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.99 -36.34 4.06 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.863 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -111.5 144.99 39.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 117.89 0.845 . . . . 0.0 111.165 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.561 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 8.9 t -126.42 143.25 51.25 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.699 0.799 . . . . 0.0 108.874 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.3 p30 -138.24 -179.97 6.1 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.387 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -44.0 -34.88 1.86 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.402 1.881 . . . . 0.0 114.304 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -63.45 -45.2 91.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.373 0.606 . . . . 0.0 110.68 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.561 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 51.7 mt-10 -74.9 -31.97 61.7 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.543 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.54 ' O ' HG13 ' A' ' 77' ' ' VAL . 5.5 m-85 -55.94 -49.13 74.38 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -52.37 59.53 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.169 0.918 . . . . 0.0 110.565 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.44 -51.47 69.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.404 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' A' ' 56' ' ' VAL . 52.0 m-85 -63.64 -49.15 74.39 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.346 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 73' ' ' PHE . 13.6 p -64.36 -36.93 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.31 72.46 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.52 ' HA ' ' HA ' ' A' ' 83' ' ' ALA 0.262 24.5 ptt? -79.41 -33.32 42.73 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 117.645 -1.622 . . . . 0.0 113.327 -178.454 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.55 -39.28 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.39 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 m -85.73 -65.58 1.0 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.553 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -87.61 -35.09 18.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.229 -170.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 79' ' ' MET . . . 65.89 25.76 11.14 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.019 1.327 . . . . 0.0 111.035 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.2 m 72.28 -37.47 0.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.817 1.647 . . . . 0.0 114.477 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -97.65 50.15 1.04 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.811 -0.556 . . . . 0.0 112.17 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.275 8.0 mm-40 -138.52 93.76 2.77 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -135.66 14.44 3.41 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -111.82 -54.91 2.57 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.872 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -88.94 -29.01 19.89 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 41.2 t-80 -67.92 -82.94 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 169.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 4.4 mm-40 . . . . . 0 C--O 1.256 1.412 0 C-N-CA 129.996 3.319 . . . . 0.0 103.793 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.495 ' HB2' ' CB ' ' B' ' 4' ' ' GLU . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.86 -45.79 18.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.039 0.447 . . . . 0.0 109.96 -171.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -35.99 81.37 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.495 ' CB ' ' HB2' ' B' ' 1' ' ' SER . 33.4 tt0 -54.57 -53.0 60.33 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 126.042 1.737 . . . . 0.0 111.157 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -59.76 -42.1 92.49 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 123.779 0.674 . . . . 0.0 110.677 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.13 84.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -66.01 -47.16 75.39 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.891 0.376 . . . . 0.0 110.197 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.75 -36.19 76.63 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.801 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.5 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.99 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.005 0.366 . . . . 0.0 110.795 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.22 -42.75 95.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.323 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.63 -25.54 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 30.2 t70 -76.96 -37.42 55.28 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 122.082 -0.386 . . . . 0.0 111.413 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -65.08 -42.37 94.18 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.421 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 29.8 t60 -57.55 -46.73 83.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.834 1.254 . . . . 0.0 110.656 173.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 96.7 mt-30 -64.22 -39.48 94.06 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.902 0.481 . . . . 0.0 111.304 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.09 3.3 8.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.147 0.498 . . . . 0.0 111.628 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.3 m 61.92 25.79 15.53 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.971 1.308 . . . . 0.0 112.965 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.12 52.94 4.7 Favored Glycine 0 C--O 1.205 -1.685 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.45 -35.84 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -107.07 -58.32 1.96 Allowed 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.32 -51.99 52.6 Favored Glycine 0 CA--C 1.501 -0.826 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.688 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.84 173.77 9.19 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 72.21 8.01 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.207 0.527 . . . . 0.0 110.557 -171.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 72.59 -16.88 0.42 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.891 1.676 . . . . 0.0 111.9 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' HB3' ' B' ' 69' ' ' ASP . 26.2 mtmt -154.03 161.54 41.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 -177.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.1 142.52 27.46 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 118.308 0.504 . . . . 0.0 109.815 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -58.65 137.27 57.64 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.356 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.478 ' HE3' ' OD1' ' B' ' 63' ' ' ASP . 63.3 mttm -58.43 -36.46 73.68 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.692 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.618 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 20.6 m -59.18 -29.57 67.56 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.578 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -85.4 -17.02 37.89 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.412 ' O ' HD13 ' B' ' 32' ' ' LEU . 3.3 tm? -61.01 -22.83 64.91 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.618 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.69 -41.31 70.1 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.956 171.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.751 0.786 . . . . 0.0 110.096 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.483 ' HG ' ' CE2' ' B' ' 73' ' ' PHE . 1.4 tm? -59.91 -55.61 32.02 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.362 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.02 -35.53 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.88 -37.5 73.02 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -115.03 -76.3 0.58 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -85.56 67.0 9.95 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 122.509 1.147 . . . . 0.0 111.733 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tt -136.26 -70.97 0.46 Allowed 'General case' 0 C--N 1.279 -2.491 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 173.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.2 t 169.66 177.84 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -128.41 28.72 5.42 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.715 0.769 . . . . 0.0 110.077 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 75.2 125.79 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.269 168.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.84 -84.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.07 -43.14 7.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.828 0.823 . . . . 0.0 110.436 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.57 111.72 18.82 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.28 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.491 0.662 . . . . 0.0 109.246 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -120.01 5.93 10.85 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.209 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -43.78 88.34 Favored 'General case' 0 C--N 1.273 -2.756 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -49.99 -44.77 51.12 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.47 -46.71 12.17 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.058 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.98 -31.31 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' B' ' 57' ' ' MET . 98.6 t -67.4 -30.46 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 122.046 0.927 . . . . 0.0 109.323 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.43 -44.02 63.01 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.875 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -66.92 -33.87 76.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.435 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' B' ' 76' ' ' PHE . 11.2 p -64.98 -35.11 74.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -65.7 -30.61 71.31 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.296 0.57 . . . . 0.0 110.25 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.16 -61.29 2.05 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.01 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 p -54.72 -39.54 68.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 tp -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.281 0.562 . . . . 0.0 112.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -98.6 -32.75 11.27 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.449 0.643 . . . . 0.0 111.24 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.72 -26.15 62.36 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.915 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 17.4 t70 -53.23 -45.8 68.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.176 0.512 . . . . 0.0 109.858 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.55 -27.43 12.22 Favored Glycine 0 C--O 1.238 0.348 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.21 -49.26 69.83 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 117.504 0.652 . . . . 0.0 112.261 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.37 -32.51 6.94 Favored Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.651 -0.785 . . . . 0.0 114.213 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -116.76 139.72 50.25 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 118.037 0.919 . . . . 0.0 111.378 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.502 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 8.9 t -120.86 145.24 47.83 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 2.9 p30 -139.87 179.09 6.8 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -44.62 -34.28 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.061 1.744 . . . . 0.0 114.884 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -63.74 -44.34 93.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.419 0.628 . . . . 0.0 109.922 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.502 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 46.7 mt-10 -75.58 -32.68 60.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.583 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.555 ' O ' HG13 ' B' ' 77' ' ' VAL . 5.7 m-85 -55.55 -48.31 74.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -52.51 62.34 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.254 0.971 . . . . 0.0 110.55 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.99 -52.19 66.55 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.211 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' B' ' 56' ' ' VAL . 53.9 m-85 -63.38 -50.15 71.04 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.496 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.555 HG13 ' O ' ' B' ' 73' ' ' PHE . 14.1 p -63.62 -37.42 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.667 0.27 . . . . 0.0 111.467 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.35 71.88 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.264 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.508 ' HA ' ' HA ' ' B' ' 83' ' ' ALA . 26.0 ptt? -79.65 -32.9 41.63 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 117.799 -1.56 . . . . 0.0 113.119 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 76' ' ' PHE . 29.2 m -67.58 -39.52 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.329 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 10.0 m -85.84 -66.15 0.93 Allowed 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.462 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -88.68 -31.54 18.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.388 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' B' ' 79' ' ' MET . . . 63.27 27.62 15.51 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.642 1.177 . . . . 0.0 111.058 -175.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m 69.06 -27.66 0.15 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.635 1.574 . . . . 0.0 115.218 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -101.82 27.71 6.26 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.269 14.8 mm-40 -118.73 96.79 5.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -136.73 15.45 3.12 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -116.48 -48.85 2.68 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.275 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.28 -28.26 18.91 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 91' ' ' GLU . 44.4 t-80 -69.02 -82.48 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 4.9 mm-40 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 129.898 3.279 . . . . 0.0 104.035 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.241 0.655 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -74.33 -51.68 14.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -170.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.78 -34.92 76.38 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 29.3 tt0 -52.6 -56.11 17.67 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.613 1.565 . . . . 0.0 111.933 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -24.25 67.62 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.37 -42.89 71.19 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.527 ' SD ' HG22 ' B' ' 77' ' ' VAL . 51.4 ttp -63.14 -41.51 99.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.028 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 4' ' ' GLU . 89.6 t -59.37 -44.81 93.32 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.997 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.127 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 92.4 mt -59.19 -44.0 92.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.665 0.269 . . . . 0.0 111.247 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -80.22 -32.15 13.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 16.5 t70 -72.43 -31.11 65.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.628 0.727 . . . . 0.0 110.75 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.03 -39.41 79.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.82 -49.35 78.05 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.057 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.532 ' ND1' ' HG3' ' B' ' 91' ' ' GLU . 10.1 t60 -44.7 -45.46 9.81 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.77 2.028 . . . . 0.0 112.365 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.73 -47.16 76.26 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.498 ' OH ' ' HG2' ' A' ' 24' ' ' LYS 0.315 1.8 p90 36.69 -128.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.034 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 m -157.79 -60.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.754 0.422 . . . . 0.0 110.847 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.47 116.5 4.28 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.175 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -21.47 66.35 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -101.76 -56.4 2.29 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.676 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.05 -54.03 8.59 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.751 -0.659 . . . . 0.0 114.217 -174.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -78.56 -17.73 55.69 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.352 0.596 . . . . 0.0 111.071 -173.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 5.1 tmtm? -71.83 -41.76 67.8 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.6 -56.15 15.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.758 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 48.4 mtmt -145.31 153.5 41.33 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.13 -41.18 74.28 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.642 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER 73.93 134.24 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.81 1.244 . . . . 0.0 111.697 -173.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB3' ' HG ' ' A' ' 60' ' ' LEU . 13.9 mptt -62.73 -36.97 84.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 3.9 m -59.41 -35.01 73.18 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.871 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -85.58 -22.21 28.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.639 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.21 -29.94 70.74 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.6 tmmt? -55.78 -46.23 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 173.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -76.11 -30.7 58.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.14 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -51.45 69.92 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 32' ' ' LEU . 18.2 pt -68.25 -40.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -51.14 -37.3 45.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.79 -46.43 4.7 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.786 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -93.14 -15.61 25.81 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -173.003 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.663 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 3.7 tt -79.74 -65.07 1.05 Allowed 'General case' 0 C--O 1.204 -1.321 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -165.06 146.88 7.82 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -103.22 -58.34 1.89 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.537 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.51 52.38 1.53 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.891 0.853 . . . . 0.0 113.123 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.39 30.06 7.4 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.464 ' HA ' ' CD ' ' A' ' 49' ' ' GLU . 34.0 mt-10 -85.72 25.99 1.02 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.158 -174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.03 8.31 17.05 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.784 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.3 mt -104.84 -85.01 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -167.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -154.58 17.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 0.0 109.24 -173.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -95.05 -12.95 25.66 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -171.251 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.41 -39.52 70.32 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.83 -42.99 17.17 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.868 0.842 . . . . 0.0 111.221 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 2.4 t -75.74 -25.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.534 -169.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 56' ' ' VAL . 71.6 t -65.93 -39.87 85.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.565 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.78 -35.68 79.11 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.508 -0.877 . . . . 0.0 109.38 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -67.41 -37.41 83.01 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.152 177.492 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.71 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 9.0 p -67.75 -36.3 75.49 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.146 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -69.13 -37.63 78.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.364 0.602 . . . . 0.0 109.998 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.47 -54.09 28.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.993 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 p -62.4 -39.84 94.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.498 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.71 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 9.9 tp -46.56 -49.31 18.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.149 1.379 . . . . 0.0 109.924 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.18 -45.41 13.94 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.753 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -76.52 -34.18 58.59 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.69 -55.21 28.88 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.62 -139.32 5.42 Favored Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 117.284 -2.389 . . . . 0.0 116.091 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.87 157.57 7.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 113.099 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -95.44 46.87 1.95 Allowed Glycine 0 N--CA 1.408 -3.231 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.352 -172.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 11.0 pt-20 -112.13 152.03 28.77 Favored 'General case' 0 C--N 1.27 -2.878 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.8 m -130.35 118.55 21.42 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.116 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HD1' ' A' ' 73' ' ' PHE . 34.1 t70 -98.21 160.13 14.49 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.215 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' B' ' 78' ' ' ALA . 42.1 p90 -57.03 -31.46 65.17 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.112 0.565 . . . . 0.0 111.543 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.06 -36.5 83.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.756 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.17 -39.2 65.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' O ' HG11 ' A' ' 77' ' ' VAL . 22.7 m-85 -51.53 -59.02 4.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.665 0.603 . . . . 0.0 111.164 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -43.65 89.69 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.798 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.56 65.18 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.183 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CD1' HG23 ' A' ' 56' ' ' VAL . 37.9 m-85 -60.95 -55.76 29.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.168 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.564 HG22 ' SD ' ' B' ' 7' ' ' MET . 7.3 p -59.28 -46.35 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -175.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' B' ' 70' ' ' PHE . . . -77.39 -26.95 52.3 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.085 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -80.75 -31.72 35.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.178 -1.409 . . . . 0.0 111.107 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.463 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 33.6 m -72.47 -39.82 62.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.122 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.219 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -83.81 -23.86 31.24 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -147.09 -56.81 0.25 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.52 60.43 1.37 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 110.973 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.49 ' HA ' ' CE2' ' A' ' 87' ' ' PHE . 20.8 m 60.1 -91.47 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.753 1.221 . . . . 0.0 111.405 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 33.25 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.54 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 50.1 mt-10 -86.18 24.52 1.32 Allowed 'General case' 0 C--O 1.257 1.492 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -168.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 84' ' ' CYS . 20.5 m-85 -75.99 71.36 2.77 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.823 0.82 . . . . 0.0 109.674 172.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 86' ' ' GLU . 44.5 p90 -167.95 -32.25 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 125.321 1.448 . . . . 0.0 108.58 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.84 -65.3 1.03 Allowed 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -82.54 -49.97 9.32 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 172.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.528 ' OE1' ' HA ' ' A' ' 88' ' ' PHE 0.301 8.5 pt-20 . . . . . 0 C--O 1.254 1.32 0 O-C-N 125.755 1.909 . . . . 0.0 109.808 -170.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 2.2 m . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 4.2 tp10 -73.78 -49.75 23.86 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -171.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 1.1 tm? -69.51 -34.36 74.18 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.663 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 29.4 tt0 -54.5 -53.67 51.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.265 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -62.93 -26.25 68.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -71.08 -42.04 69.9 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.564 ' SD ' HG22 ' A' ' 77' ' ' VAL . 53.3 ttp -62.96 -42.01 99.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.664 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 4' ' ' GLU . 66.8 t -59.15 -44.64 92.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.974 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.55 98.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.307 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 94.0 mt -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.739 0.304 . . . . 0.0 111.056 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -80.13 -30.52 12.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 12.7 t70 -72.42 -32.42 66.33 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.544 0.688 . . . . 0.0 109.559 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.41 -41.15 83.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.359 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.02 -49.73 76.79 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.003 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.51 ' ND1' ' HG3' ' A' ' 91' ' ' GLU . 9.1 t60 -44.94 -45.28 10.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.51 1.924 . . . . 0.0 112.164 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -62.25 -50.84 70.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.406 ' OH ' ' HG2' ' B' ' 24' ' ' LYS 0.286 2.1 p90 37.33 -135.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -175.446 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 62.1 m -151.15 -64.98 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.741 -0.599 . . . . 0.0 110.587 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.0 115.74 4.59 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.829 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -20.31 66.44 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 123.272 0.629 . . . . 0.0 112.666 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.64 -58.59 1.85 Allowed 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.8 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.24 -54.51 13.22 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.418 0.527 . . . . 0.0 114.418 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -77.73 -15.84 58.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.284 0.564 . . . . 0.0 111.049 -173.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' B' ' 24' ' ' LYS . 4.7 tmtm? -75.57 -36.76 60.29 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -69.7 -52.8 22.39 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.879 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.456 ' HD2' ' HB3' ' B' ' 67' ' ' GLU . 51.9 mtmt -148.56 155.09 40.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 173.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.08 -41.36 67.44 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.1 OUTLIER 74.48 136.85 0.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.914 1.286 . . . . 0.0 111.767 -173.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.14 -37.07 86.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 9.5 m -62.95 -32.69 74.06 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.063 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -85.4 -21.91 28.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.427 0.632 . . . . 0.0 110.282 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.493 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.95 -28.85 70.36 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' B' ' 30' ' ' SER . 2.4 tmmt? -55.22 -47.45 75.32 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 110.795 173.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 46.4 mt-10 -76.74 -29.11 56.02 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.014 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -51.69 68.64 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.493 HG12 ' O ' ' B' ' 32' ' ' LEU . 18.0 pt -68.75 -40.78 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -49.54 -36.68 24.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.4 1.08 . . . . 0.0 111.833 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -104.63 -52.68 2.84 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -14.48 38.89 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -171.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.645 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 3.9 tt -79.99 -64.7 1.13 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -162.5 147.54 12.29 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -103.95 -49.82 3.54 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.07 174.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -127.74 34.96 4.56 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.32 30.36 2.86 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.767 0.794 . . . . 0.0 109.022 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.87 28.04 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.743 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.16 13.15 15.69 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.141 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mt -108.71 -91.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -147.59 16.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.487 1.136 . . . . 0.0 109.122 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -89.08 -21.45 23.4 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -170.531 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -53.41 -39.5 64.36 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.83 -43.79 17.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.879 0.847 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 2.6 t -75.55 -25.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.314 -170.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.597 ' O ' HG13 ' B' ' 56' ' ' VAL . 75.9 t -65.89 -37.96 81.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.288 0.566 . . . . 0.0 110.027 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.64 -37.54 76.81 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.438 ' N ' ' HE3' ' B' ' 55' ' ' LYS . 0.4 OUTLIER -66.61 -36.66 83.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.182 178.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.745 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 7.7 p -67.75 -35.71 73.47 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.491 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -70.69 -36.51 73.32 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.411 0.624 . . . . 0.0 110.012 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.75 -57.1 9.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.298 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.0 p -61.8 -39.79 92.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.307 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.745 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 10.7 tp -48.0 -39.31 19.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.949 1.299 . . . . 0.0 110.794 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.68 -39.71 9.76 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.226 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.17 -34.33 49.67 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.22 -48.99 75.95 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.34 -132.58 2.54 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 117.227 -2.416 . . . . 0.0 116.007 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -71.96 159.85 33.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.451 0.7 . . . . 0.0 112.094 -172.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -93.29 45.28 2.43 Favored Glycine 0 N--CA 1.412 -2.911 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.882 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.456 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 13.5 pt-20 -109.21 151.19 26.83 Favored 'General case' 0 C--N 1.268 -2.976 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.456 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 61.7 m -130.67 117.71 19.88 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.572 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.43 ' O ' ' HD1' ' B' ' 73' ' ' PHE . 16.1 t70 -95.54 160.48 14.49 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 34.8 p90 -58.13 -31.0 66.77 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.174 0.59 . . . . 0.0 111.284 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.53 -36.48 83.93 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.509 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 39.7 mt-10 -73.49 -39.73 64.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.524 ' O ' HG11 ' B' ' 77' ' ' VAL . 23.5 m-85 -51.63 -59.43 4.28 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.799 0.687 . . . . 0.0 111.256 175.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -42.99 87.86 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.808 0.693 . . . . 0.0 111.76 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.09 50.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.036 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.594 ' CD1' HG23 ' B' ' 56' ' ' VAL . 38.6 m-85 -59.86 -55.72 30.73 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.125 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.527 HG22 ' SD ' ' A' ' 7' ' ' MET . 7.3 p -59.53 -46.88 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . . . -77.23 -24.12 51.25 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.03 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -83.39 -34.12 25.62 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 118.445 -1.302 . . . . 0.0 111.028 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.482 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 33.3 m -70.3 -39.08 76.26 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.203 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 m -83.94 -23.26 31.19 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.701 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.9 m -150.04 -56.16 0.17 Allowed 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 63.59 59.63 1.18 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.216 1.006 . . . . 0.0 111.845 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 m 62.41 -93.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 35.93 -90.28 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' B' ' 88' ' ' PHE . 59.0 mt-10 -84.32 23.64 1.07 Allowed 'General case' 0 C--O 1.255 1.364 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -169.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.84 75.25 2.78 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.842 0.829 . . . . 0.0 110.443 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' B' ' 86' ' ' GLU . 49.3 p90 -173.83 -28.47 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 125.945 1.698 . . . . 0.0 108.468 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.46 -69.57 0.62 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -80.65 -48.07 13.17 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.532 ' HG3' ' ND1' ' A' ' 15' ' ' HIS 0.281 9.0 pt-20 . . . . . 0 C--O 1.246 0.914 0 O-C-N 125.789 1.931 . . . . 0.0 109.408 -169.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.526 ' H1 ' ' CD ' ' B' ' 39' ' ' GLU . 49.0 m . . . . . 0 N--CA 1.431 -1.405 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.46 -42.81 24.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -34.12 75.3 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -44.42 -60.48 1.93 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.601 1.16 . . . . 0.0 110.481 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -79.71 -21.01 45.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.547 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' HD11 ' A' ' 10' ' ' LEU . . . -68.41 -45.51 72.43 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.525 176.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -59.95 -41.91 92.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.305 0.574 . . . . 0.0 109.7 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.31 -37.18 77.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.541 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.26 85.03 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 6' ' ' ALA . 4.1 mp -59.42 -35.16 73.47 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.235 0.541 . . . . 0.0 110.524 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.91 -45.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.201 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.566 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.8 t70 -65.84 -38.11 88.0 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -68.87 -34.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.187 0.518 . . . . 0.0 109.85 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -68.74 -39.77 80.17 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 11.0 t60 -56.33 -40.2 74.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.617 1.967 . . . . 0.0 110.854 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 16.1 mm100 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -86.47 150.83 24.0 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.329 0.585 . . . . 0.0 112.075 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -73.4 37.67 0.09 Allowed 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.318 1.447 . . . . 0.0 114.854 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.3 -8.67 3.19 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.256 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -57.76 -18.93 24.39 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -132.89 -50.63 0.89 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 121.97 -0.456 . . . . 0.0 110.293 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.6 75.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.583 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 14.1 t70 -87.31 -96.44 0.09 Allowed 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.412 -0.915 . . . . 0.0 112.132 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 24.0 tptm -117.42 22.47 12.41 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.1 t60 71.51 13.49 6.43 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.282 -1.781 . . . . 0.0 106.896 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 53.8 mtmt -163.99 -177.58 5.14 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . 8.6 mp -111.02 147.42 34.8 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 119.485 1.039 . . . . 0.0 110.019 -173.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -65.83 163.0 17.71 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.552 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 99.4 mttt -67.98 -29.72 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.438 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.5 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 15.7 m -65.4 -22.89 66.84 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.946 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 27' ' ' LEU . 16.9 mm-40 -85.91 -28.45 24.34 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.791 0.805 . . . . 0.0 109.847 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.1 tm? -60.85 -22.65 64.45 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.754 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' ' 30' ' ' SER . 3.1 ttmt -52.23 -50.94 61.01 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.481 175.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.59 -39.02 93.32 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.906 0.86 . . . . 0.0 110.107 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.62 HD22 ' CE2' ' A' ' 73' ' ' PHE . 26.4 tp -63.71 -51.21 66.01 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.522 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.6 pt -68.34 -25.55 31.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -55.6 -37.71 68.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.581 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -112.73 -61.23 1.76 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CD ' ' H1 ' ' B' ' 1' ' ' SER . 5.9 mm-40 -87.03 71.89 10.15 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 123.022 1.392 . . . . 0.0 112.385 -176.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' HG ' HG22 ' A' ' 77' ' ' VAL . 4.9 tt -131.01 -64.91 0.8 Allowed 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 173.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -166.73 55.44 0.09 Allowed 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.266 1.426 . . . . 0.0 107.849 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.5 m80 70.36 -67.95 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.919 1.288 . . . . 0.0 112.949 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -134.51 -80.52 0.45 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.4 mt 59.09 98.72 0.02 OUTLIER 'General case' 0 C--N 1.341 0.203 0 O-C-N 124.637 1.211 . . . . 0.0 110.776 -173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -135.51 -9.63 2.17 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.1 10.57 5.87 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -171.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mp -113.88 -72.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 118.473 -1.291 . . . . 0.0 113.244 -170.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -123.77 -52.06 1.8 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 122.778 1.275 . . . . 0.0 109.381 -175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -56.5 -29.43 61.8 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.063 2.545 . . . . 0.0 114.024 -173.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -55.87 -22.14 23.84 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.22 -47.29 13.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.435 HG13 HG23 ' A' ' 56' ' ' VAL . 22.0 t -85.43 -26.91 6.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -169.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 57' ' ' MET . 78.1 t -55.44 -43.72 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.092 0.406 . . . . 0.0 111.705 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 30.7 t70 -63.79 -44.82 92.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -62.58 -34.28 76.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.053 0.941 . . . . 0.0 110.514 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 HG13 ' A' ' 52' ' ' VAL . 5.0 t -68.33 -41.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 124.748 1.219 . . . . 0.0 110.57 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.042 0.448 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 37.6 mm-40 -66.99 -58.24 5.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.857 173.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -59.5 -41.51 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.09 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 2.8 mp -50.35 -51.98 41.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.418 0.687 . . . . 0.0 111.248 175.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.44 -43.55 60.09 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.836 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.23 -49.22 36.9 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.736 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.91 -44.63 8.8 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.32 49.84 3.99 Favored Glycine 0 CA--C 1.499 -0.931 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -168.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -80.84 -23.85 38.84 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.583 0.706 . . . . 0.0 109.813 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.74 -56.78 3.24 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.469 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 10.0 pt-20 -178.4 179.97 0.73 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.584 0.753 . . . . 0.0 110.565 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -136.05 121.79 19.75 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -90.61 171.13 9.6 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -74.7 -17.46 60.66 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.23 -35.41 73.84 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.949 -1.101 . . . . 0.0 109.494 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -77.26 -30.31 54.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CE2' HD22 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.53 -51.95 51.01 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 171.145 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 1.1 tpt -60.8 -51.67 68.32 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.325 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.93 -51.77 54.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.01 -49.93 70.5 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.607 HG11 ' O ' ' A' ' 73' ' ' PHE . 8.5 p -67.5 -32.56 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.408 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.87 29.92 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.832 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -67.0 -40.77 87.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.38 -31.78 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.441 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 m -84.12 -36.13 23.17 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.861 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 p -94.45 -22.17 18.45 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -35.58 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.433 ' O ' ' HD2' ' A' ' 85' ' ' HIS . 24.5 p 169.87 -48.88 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 126.918 2.087 . . . . 0.0 106.361 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.433 ' HD2' ' O ' ' A' ' 84' ' ' CYS . 3.0 m170 -157.48 -166.49 2.04 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 102.204 -3.258 . . . . 0.0 102.204 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.26 -66.87 0.9 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 119.062 0.846 . . . . 0.0 109.723 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -103.82 83.05 2.07 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.16 -87.16 0.64 Allowed 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.165 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -90.98 61.06 4.53 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 122.131 0.967 . . . . 0.0 111.551 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 178.2 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.269 -2.93 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.513 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -171.499 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.483 ' H1 ' ' CD ' ' A' ' 39' ' ' GLU . 42.9 m . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.05 -43.93 32.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.79 -33.18 70.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' B' ' 1' ' ' SER . 8.4 tp10 -46.28 -57.01 4.96 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.708 1.203 . . . . 0.0 110.662 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -83.06 -21.6 33.72 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.479 ' O ' HD11 ' B' ' 10' ' ' LEU . . . -66.29 -47.23 74.3 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 122.982 0.176 . . . . 0.0 110.901 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -58.19 -41.93 85.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.35 0.595 . . . . 0.0 110.021 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.34 -37.48 78.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.724 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.41 89.56 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.479 HD11 ' O ' ' B' ' 6' ' ' ALA . 4.2 mp -59.93 -34.66 73.54 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.196 0.522 . . . . 0.0 110.526 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.0 mt -80.42 -45.75 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.316 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 38.5 t70 -66.93 -36.54 82.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.4 -33.56 58.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.83 -39.07 76.69 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 7.8 t60 -57.68 -41.32 81.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.186 1.794 . . . . 0.0 110.73 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 16.3 mm100 -64.43 -35.13 79.93 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.069 0.548 . . . . 0.0 112.288 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -73.82 149.78 41.43 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.382 0.611 . . . . 0.0 112.631 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -75.18 50.51 0.49 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.349 1.06 . . . . 0.0 113.72 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.16 -2.44 0.99 Allowed Glycine 0 C--N 1.312 -0.79 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.563 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -16.45 58.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.681 0.792 . . . . 0.0 112.934 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.11 -55.69 0.86 Allowed 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.77 72.88 Favored Glycine 0 C--N 1.319 -0.404 0 N-CA-C 116.281 1.272 . . . . 0.0 116.281 -173.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.597 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 14.5 t70 -79.31 -90.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.957 0.879 . . . . 0.0 112.773 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.472 ' HG2' ' HB3' ' B' ' 67' ' ' GLU . 24.1 tptm -122.33 18.53 10.62 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 t60 75.11 11.9 3.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.755 -169.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 52.8 mtmt -164.5 179.65 6.56 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' B' ' 31' ' ' GLU . 8.3 mp -108.25 147.89 30.75 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 119.506 1.048 . . . . 0.0 110.167 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -65.65 162.37 18.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 168.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 99.5 mttt -67.73 -30.47 69.96 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.487 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.524 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 15.9 m -64.29 -23.7 67.39 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' B' ' 27' ' ' LEU . 11.4 mm-40 -85.76 -31.07 22.58 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.653 0.74 . . . . 0.0 109.628 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.488 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -58.77 -23.24 59.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.694 1.198 . . . . 0.0 109.041 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -52.15 -48.03 65.13 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.761 1.224 . . . . 0.0 111.913 175.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.58 -34.97 74.91 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.813 0.816 . . . . 0.0 110.453 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.64 HD22 ' CE2' ' B' ' 73' ' ' PHE . 26.4 tp -64.71 -50.33 67.36 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.041 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.488 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.5 pt -68.24 -24.52 29.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -55.77 -38.59 70.09 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.438 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -112.97 -60.45 1.88 Allowed 'General case' 0 C--O 1.25 1.08 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.526 ' CD ' ' H1 ' ' A' ' 1' ' ' SER . 5.2 mm-40 -87.19 71.92 10.01 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.043 1.401 . . . . 0.0 111.959 -176.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.458 ' HG ' HG22 ' B' ' 77' ' ' VAL . 4.6 tt -131.98 -64.75 0.77 Allowed 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 103.649 -2.723 . . . . 0.0 103.649 173.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -165.41 52.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.946 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.9 m80 71.45 -65.92 0.32 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.615 1.166 . . . . 0.0 112.015 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.93 -79.96 0.44 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.4 mt 59.37 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.618 1.199 . . . . 0.0 110.858 -173.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -134.51 -5.82 2.56 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.099 -0.376 . . . . 0.0 111.695 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -135.85 9.96 3.34 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.4 HG23 ' HG2' ' B' ' 48' ' ' LYS . 2.9 mp -113.75 -76.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 C-N-CA 117.717 -1.593 . . . . 0.0 112.143 -171.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.4 ' HG2' HG23 ' B' ' 47' ' ' ILE . 14.3 mmmm -118.53 -51.99 2.38 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 122.43 1.109 . . . . 0.0 109.548 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.47 ' O ' HG21 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -57.71 -30.46 65.53 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.022 2.529 . . . . 0.0 113.861 -173.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -53.57 -24.45 13.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -80.88 -46.84 14.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.424 HG13 HG23 ' B' ' 56' ' ' VAL . 19.8 t -85.69 -28.73 6.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.524 -170.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 57' ' ' MET . 76.2 t -54.75 -43.73 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.15 0.432 . . . . 0.0 111.726 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.96 -45.91 90.23 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.379 0.609 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -62.6 -34.02 76.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.146 0.978 . . . . 0.0 110.386 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.424 HG23 HG13 ' B' ' 52' ' ' VAL . 4.6 t -68.51 -41.16 82.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.587 0 C-N-CA 124.663 1.185 . . . . 0.0 110.664 174.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.9 mmt -64.61 -36.39 84.08 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.464 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -63.24 -56.82 13.44 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 123.954 0.784 . . . . 0.0 110.481 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.4 p -60.31 -40.68 91.44 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.796 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 3.1 mp -52.77 -51.59 60.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.22 0.608 . . . . 0.0 111.289 173.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.51 -46.27 66.93 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.287 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -74.28 -49.64 22.27 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.771 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.51 -47.84 8.03 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.93 54.69 4.97 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 116.243 1.257 . . . . 0.0 116.243 -168.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.51 -25.61 28.7 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.688 0.756 . . . . 0.0 109.432 175.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.62 -55.56 3.87 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.911 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.472 ' HB3' ' HG2' ' B' ' 24' ' ' LYS . 9.8 pt-20 -179.34 -177.91 0.47 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.939 0.896 . . . . 0.0 110.923 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -137.88 124.15 20.53 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 105.41 -2.071 . . . . 0.0 105.41 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -93.59 171.79 8.67 Favored 'General case' 0 C--N 1.278 -2.535 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -75.18 -17.64 60.33 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 122.656 0.382 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.2 -34.84 71.23 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.305 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.69 -31.25 57.11 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.64 ' CE2' HD22 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -51.11 -52.78 40.42 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 171.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' B' ' 74' ' ' MET . 1.0 OUTLIER -60.13 -50.91 71.81 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.13 176.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.45 -51.45 59.22 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -64.81 -49.6 70.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.511 HG13 ' O ' ' B' ' 73' ' ' PHE . 9.3 p -67.9 -31.6 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-O 120.961 0.41 . . . . 0.0 111.376 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.71 -51.72 38.52 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.061 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -68.83 -40.79 79.28 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -61.48 -31.48 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.213 0.53 . . . . 0.0 111.41 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.0 m -82.78 -45.78 13.94 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.533 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.1 p -87.35 -18.21 30.62 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -38.77 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.093 1.357 . . . . 0.0 114.411 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 21.0 p 166.06 -44.58 0.0 OUTLIER 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 127.528 2.331 . . . . 0.0 106.08 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -162.49 -162.6 0.82 Allowed 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 103.625 -2.731 . . . . 0.0 103.625 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -58.14 1.95 Allowed 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 118.834 0.743 . . . . 0.0 111.396 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -115.43 79.3 1.27 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.435 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 43.9 t80 -116.66 -87.57 0.61 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' B' ' 88' ' ' PHE . 47.7 mt-10 -94.49 69.23 3.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.117 0.961 . . . . 0.0 111.12 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 170.62 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.196 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 -171.234 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 18.5 m . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.957 0.408 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -50.19 63.21 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.13 -33.63 74.83 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.161 0.505 . . . . 0.0 111.6 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 1' ' ' SER . 37.1 tt0 -55.89 -53.7 53.63 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.989 -1.46 . . . . 0.0 109.561 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.94 -34.64 69.19 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.22 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -59.57 4.42 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.749 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -57.32 -41.89 80.81 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.56 -23.81 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.433 0.635 . . . . 0.0 110.494 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.49 -43.93 25.78 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.153 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 -41.69 98.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.87 -29.58 41.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.513 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -77.5 -53.03 8.11 Favored 'General case' 0 C--O 1.247 0.961 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.97 -26.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.442 0.697 . . . . 0.0 111.733 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.08 -46.14 82.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.774 0.83 . . . . 0.0 111.089 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -85.09 -30.9 23.68 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.98 -40.09 79.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.239 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -68.65 -65.34 0.71 Allowed 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m -154.4 88.64 1.23 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -35.82 48.81 Favored Glycine 0 CA--C 1.496 -1.114 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -56.38 -28.06 58.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.779 -0.711 . . . . 0.0 110.585 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -91.33 -66.73 0.9 Allowed 'General case' 0 N--CA 1.413 -2.32 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.86 -43.84 39.61 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.659 1.023 . . . . 0.0 115.659 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.26 -31.28 33.79 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.139 0.495 . . . . 0.0 111.805 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.26 -61.22 1.47 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -99.46 4.46 46.12 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' HB3' ' A' ' 67' ' ' GLU 0.264 0.0 OUTLIER 65.87 164.13 0.17 Allowed 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 125.262 1.425 . . . . 0.0 111.011 -170.931 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -78.77 -33.95 46.0 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -169.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 69.65 139.64 0.04 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.088 0.947 . . . . 0.0 110.974 -169.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.02 -19.78 59.91 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.764 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 13.9 m -67.22 -28.69 68.27 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.459 177.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -74.61 -28.52 60.93 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.9 tm? -62.64 -26.0 68.41 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 30' ' ' SER . 3.9 tmmm? -59.55 -50.67 73.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.806 0.812 . . . . 0.0 111.459 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.34 -32.9 74.69 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.966 0.888 . . . . 0.0 110.107 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' A' ' 73' ' ' PHE . 13.6 tp -72.03 -45.74 59.7 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.708 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 2.9 pt -61.19 -36.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 121.078 0.466 . . . . 0.0 110.866 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.6 -30.68 70.85 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.421 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -122.52 -68.54 0.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -176.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.72 -14.71 56.18 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 6.7 mp -94.08 -70.41 0.71 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.529 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 t -91.63 83.67 5.37 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.76 -44.65 66.3 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.274 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -154.49 20.39 0.47 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.388 0.613 . . . . 0.0 110.348 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -91.07 20.6 4.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.677 0.751 . . . . 0.0 110.757 -173.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 34.1 mt-10 -72.09 -3.21 21.79 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.167 -175.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.82 -4.19 50.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.023 -174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -86.13 -86.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.241 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -116.02 -79.62 0.59 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.485 ' HG3' ' HA ' ' A' ' 45' ' ' GLU . 4.0 mm-40 57.8 -73.26 0.02 OUTLIER 'General case' 0 C--O 1.184 -2.386 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 170.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -48.06 -42.1 27.72 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -165.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -74.95 -46.64 34.18 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 122.043 0.925 . . . . 0.0 109.798 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 12.0 t -72.94 -33.54 43.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.639 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.619 ' O ' HG11 ' A' ' 56' ' ' VAL . 77.1 t -63.27 -37.0 78.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 C-N-CA 123.078 0.551 . . . . 0.0 109.731 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.18 -41.64 85.55 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.691 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -67.12 -35.75 80.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.57 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.619 HG11 ' O ' ' A' ' 53' ' ' VAL . 1.9 p -68.83 -37.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -63.14 -33.92 76.5 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.18 -62.48 1.36 Allowed 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.204 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -66.3 -49.7 66.16 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.68 -46.12 77.65 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 123.555 0.742 . . . . 0.0 111.177 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.68 -32.27 25.67 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.21 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -71.25 -42.06 69.31 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.31 -59.11 4.77 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.55 -68.51 1.51 Allowed Glycine 0 C--O 1.24 0.504 0 O-C-N 123.672 0.608 . . . . 0.0 113.744 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.07 -62.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.029 2.132 . . . . 0.0 112.558 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.31 -49.39 0.75 Allowed Glycine 0 C--N 1.291 -1.942 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.5 pm0 -116.69 151.46 36.29 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.615 176.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -113.47 119.72 38.55 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.06 160.45 24.51 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.8 -21.73 66.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.546 0.689 . . . . 0.0 110.047 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.05 -42.15 76.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.26 -28.77 59.97 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.297 0.57 . . . . 0.0 110.239 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 2.7 t80 -54.88 -45.59 74.68 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.23 46.81 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.461 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.5 -56.64 10.7 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -67.3 -41.51 85.24 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.0 p -70.58 -38.57 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.223 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.13 73.95 Favored 'General case' 0 N--CA 1.438 -1.051 0 O-C-N 122.022 -0.424 . . . . 0.0 111.417 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.512 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.6 ptt? -81.54 -26.7 34.85 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 118.525 -1.27 . . . . 0.0 112.535 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 31.0 m -75.35 -44.84 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.295 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.8 m -78.63 -51.95 9.15 Favored 'General case' 0 N--CA 1.407 -2.611 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.506 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.8 m -77.37 -73.58 0.29 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 42.58 68.45 0.48 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.24 1.016 . . . . 0.0 111.621 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t 70.25 -32.87 0.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.256 1.422 . . . . 0.0 113.222 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.472 ' C ' ' H ' ' A' ' 87' ' ' PHE . 93.1 m-70 -84.64 153.13 23.35 Favored 'General case' 0 C--O 1.208 -1.091 0 O-C-N 121.719 -0.613 . . . . 0.0 111.672 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.602 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 4.2 mm-40 75.11 -31.08 0.2 Allowed 'General case' 0 C--O 1.195 -1.792 0 C-N-CA 124.872 1.269 . . . . 0.0 110.846 -166.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 85' ' ' HIS . 63.2 t80 -82.03 -18.52 42.94 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 171.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -100.39 -49.09 4.35 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.425 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -69.27 -72.53 0.18 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.244 0.618 . . . . 0.0 110.961 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 28.9 t-80 -60.56 -44.31 96.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.966 0.506 . . . . 0.0 111.579 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.275 16.6 pt-20 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 116.427 -1.749 . . . . 0.0 108.831 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 19.3 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.845 0.355 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -47.54 66.18 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.64 -34.11 77.12 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.26 0.553 . . . . 0.0 111.296 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' B' ' 1' ' ' SER . 38.8 tt0 -55.45 -52.35 63.9 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.479 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -74.06 -34.0 63.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.336 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -57.54 7.72 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.824 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -58.21 -41.69 84.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.2 -24.9 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 121.395 0.617 . . . . 0.0 110.272 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.72 -44.38 33.63 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.33 -40.36 96.11 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.76 -29.45 37.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.762 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -77.85 -53.23 7.72 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' B' ' 73' ' ' PHE . 14.1 p -53.73 -26.87 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.599 0.76 . . . . 0.0 111.895 -176.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -57.23 -45.72 83.65 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.822 0.849 . . . . 0.0 111.191 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -85.8 -30.21 23.18 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -57.91 -42.19 84.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.752 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.63 -62.6 1.42 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 63.3 m -158.81 91.13 1.03 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -34.04 49.39 Favored Glycine 0 CA--C 1.497 -1.046 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -54.82 -32.76 60.77 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.662 -0.769 . . . . 0.0 110.268 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -87.18 -66.71 0.88 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.666 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' B' ' 26' ' ' LYS . . . -49.71 -43.56 38.0 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 115.521 0.968 . . . . 0.0 115.521 -169.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.52 -29.48 30.42 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -104.82 -66.91 0.94 Allowed 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -93.87 6.22 49.13 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.676 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' HB3' ' B' ' 67' ' ' GLU 0.268 0.0 OUTLIER 64.46 167.21 0.16 Allowed 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.367 1.467 . . . . 0.0 111.364 -171.58 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -79.96 -32.15 39.89 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.9 135.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.946 0.879 . . . . 0.0 111.083 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.25 -22.37 61.24 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.442 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 18.9 m -64.02 -27.58 69.21 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.665 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -81.44 -21.98 38.48 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 121.99 -0.444 . . . . 0.0 110.708 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.474 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -65.6 -25.81 67.56 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' B' ' 30' ' ' SER . 3.7 tmmm? -58.48 -50.75 72.59 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 122.064 0.935 . . . . 0.0 111.015 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.1 -38.44 82.95 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.32 175.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.596 HD23 ' CZ ' ' B' ' 73' ' ' PHE . 15.8 tp -70.3 -44.23 68.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.819 -175.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.564 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 3.1 pt -62.97 -34.73 67.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 118.021 0.373 . . . . 0.0 111.246 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 -29.82 70.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.475 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -124.84 -70.82 0.73 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.47 -15.85 57.08 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -170.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 6.5 mp -93.42 -70.41 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.942 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -91.81 85.22 5.55 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -69.49 -40.23 77.16 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.394 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -161.2 23.6 0.13 Allowed 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.77 19.64 7.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.498 0.665 . . . . 0.0 110.954 -173.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -70.49 -1.34 10.58 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.015 1.326 . . . . 0.0 112.916 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.2 -16.4 27.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.905 0.482 . . . . 0.0 112.244 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.1 -82.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -121.32 -79.65 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 57.97 -73.43 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.315 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -49.37 -37.88 26.46 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -165.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -77.51 -47.6 19.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.889 0.852 . . . . 0.0 109.682 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 12.9 t -71.22 -35.35 57.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.716 -173.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.622 ' O ' HG11 ' B' ' 56' ' ' VAL . 76.9 t -63.28 -37.09 78.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 C-N-CA 123.156 0.582 . . . . 0.0 109.866 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -42.35 89.61 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -68.12 -35.22 77.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.703 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.622 HG11 ' O ' ' B' ' 53' ' ' VAL . 2.0 p -68.39 -36.19 73.87 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.674 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.621 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.3 mmt -64.99 -28.61 69.63 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 121.267 0.556 . . . . 0.0 110.131 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.88 -62.24 1.66 Allowed 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.713 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.8 p -65.13 -49.58 69.35 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.8 tp -55.92 -46.52 78.42 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 123.43 0.692 . . . . 0.0 111.07 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.39 -32.89 32.61 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.062 -176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -38.55 57.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.961 0.41 . . . . 0.0 110.141 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.16 -55.06 36.71 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.09 -72.69 0.72 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.461 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 67.6 -56.88 0.46 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.154 2.182 . . . . 0.0 112.462 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.67 -45.53 1.1 Allowed Glycine 0 C--N 1.295 -1.74 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.449 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 2.0 pm0 -119.0 152.59 36.12 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.177 -0.511 . . . . 0.0 111.31 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.7 t -114.79 119.29 36.15 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 170.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -83.49 161.55 21.21 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -63.47 -21.74 66.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.995 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -68.31 -42.9 78.75 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.731 172.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.16 -28.49 60.12 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 110.404 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 2.8 t80 -55.05 -45.97 75.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.565 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -47.14 55.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.5 175.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.12 -57.84 7.67 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.79 -39.39 87.75 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.65 -39.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.181 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.54 77.41 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 122.254 -0.279 . . . . 0.0 111.387 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptt? -79.6 -28.12 41.03 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.628 -179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.495 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 27.5 m -74.49 -43.78 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.703 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.391 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -80.55 -50.14 10.4 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.677 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.5 m -78.82 -73.87 0.31 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 41.69 69.05 0.39 Allowed 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.182 0.993 . . . . 0.0 111.826 -175.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.5 t 71.45 -34.27 0.29 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.336 1.454 . . . . 0.0 113.2 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.455 ' C ' ' H ' ' B' ' 87' ' ' PHE . 93.7 m-70 -85.57 151.89 23.57 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 121.652 -0.655 . . . . 0.0 111.515 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 11.7 mm-40 75.91 -30.08 0.19 Allowed 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 124.795 1.238 . . . . 0.0 110.625 -166.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' B' ' 85' ' ' HIS . 56.0 t80 -84.52 -15.85 44.41 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 171.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -101.41 -55.92 2.42 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.325 -1.307 . . . . 0.0 108.422 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -63.75 -75.08 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.446 0.698 . . . . 0.0 111.448 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.586 ' HB3' ' O ' ' B' ' 86' ' ' GLU . 26.9 t-80 -56.42 -47.96 77.98 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.295 0.372 . . . . 0.0 110.969 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . 0.288 12.8 pt-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.311 -1.804 . . . . 0.0 109.108 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.241 0.658 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.44 -49.11 65.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.768 0.827 . . . . 0.0 110.161 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -40.76 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -176.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -54.57 -56.26 20.75 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.834 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.13 -44.12 74.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.845 0.858 . . . . 0.0 110.832 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.76 96.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.024 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.97 -47.2 84.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.204 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.1 t -60.24 -44.59 95.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.458 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.26 86.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.11 -42.52 93.87 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.491 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 40.4 pt -74.28 -31.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.54 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.07 -28.78 27.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.486 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.51 -35.02 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 121.14 0.495 . . . . 0.0 110.491 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 27' ' ' LEU . 85.8 t80 -65.34 -45.98 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.826 0.822 . . . . 0.0 108.858 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.45 -49.52 77.24 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.556 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -58.22 -27.87 64.33 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.729 0.812 . . . . 0.0 112.911 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.42 -49.28 69.79 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 t -149.04 92.04 1.92 Allowed 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.133 0.492 . . . . 0.0 111.017 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.99 59.56 4.93 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-O 121.63 0.572 . . . . 0.0 112.762 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -45.35 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -77.56 -49.5 14.54 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -59.26 -59.82 9.98 Favored Glycine 0 CA--C 1.483 -1.951 0 O-C-N 124.617 1.198 . . . . 0.0 111.38 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.62 -59.11 1.73 Allowed 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.741 0.907 . . . . 0.0 112.967 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.38 -52.97 7.05 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -130.18 17.59 5.52 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.6 mmpt? 67.25 -167.65 0.2 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.578 0.751 . . . . 0.0 110.972 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 52.9 mt -146.98 153.1 39.67 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -80.94 154.26 27.08 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.653 0.596 . . . . 0.0 110.205 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' HZ1' ' CD ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -64.15 -18.25 64.26 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.834 174.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.688 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.8 m -53.65 -38.54 64.21 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.35 -19.96 48.97 Favored 'General case' 0 C--O 1.259 1.604 0 CA-C-O 122.14 0.971 . . . . 0.0 110.943 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 20.6 tp -61.71 -19.25 62.18 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.85 174.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.688 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -51.19 -34.36 31.42 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.823 0.849 . . . . 0.0 112.741 176.02 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 17.8 mt-10 -82.52 -38.7 23.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.473 0.654 . . . . 0.0 110.047 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.52 -34.59 76.15 Favored 'General case' 0 CA--C 1.558 1.287 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.836 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 HD22 ' A' ' 40' ' ' LEU . 11.2 pt -67.66 -43.64 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 O-C-N 121.951 -0.468 . . . . 0.0 111.499 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.88 -30.93 62.31 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.227 0.611 . . . . 0.0 111.338 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -92.35 -60.73 1.76 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -87.78 -62.11 1.57 Allowed 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -172.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD22 HG22 ' A' ' 36' ' ' ILE . 4.9 mp -70.37 -20.52 62.96 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.7 m -129.43 96.43 4.28 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.769 -0.582 . . . . 0.0 110.2 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.468 ' O ' HD23 ' A' ' 44' ' ' LEU . 56.9 p-80 -140.7 102.33 4.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.809 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 70.68 7.2 6.13 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 124.265 1.026 . . . . 0.0 112.751 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 42' ' ' HIS . 2.9 mm? -84.63 72.84 10.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.13 -20.14 4.2 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.776 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -92.03 1.25 57.31 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.892 -169.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.1 mt -112.82 -87.14 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.837 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -150.67 8.83 0.59 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.235 0.54 . . . . 0.0 110.829 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 mp0 -76.59 -23.25 53.48 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.8 -30.44 63.69 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.353 0.524 . . . . 0.0 111.109 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.8 mm-40 -73.05 -49.52 28.22 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.05 -28.11 35.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.257 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 57' ' ' MET . 70.6 t -64.09 -36.01 75.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 25.8 t70 -70.95 -41.39 71.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.166 0.507 . . . . 0.0 110.153 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 26.4 mmmt -66.05 -34.97 79.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.002 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.681 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.5 p -68.53 -33.65 61.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -67.7 -39.12 84.4 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 45.4 mt-10 -66.58 -51.24 58.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.062 0.458 . . . . 0.0 110.395 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.4 p -65.31 -41.75 93.72 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 7.7 tp -51.95 -49.39 63.27 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.933 0.893 . . . . 0.0 110.281 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.57 -51.87 51.73 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.338 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -70.86 -39.33 72.96 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.42 -10.1 45.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.95 0.881 . . . . 0.0 110.543 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.17 62.12 0.02 OUTLIER Glycine 0 N--CA 1.473 1.113 0 CA-C-N 114.414 -1.266 . . . . 0.0 115.282 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.51 -41.32 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 123.901 0.88 . . . . 0.0 109.464 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.29 41.43 3.06 Favored Glycine 0 CA--C 1.495 -1.167 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.473 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 59.13 -162.44 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.243 1.417 . . . . 0.0 110.325 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 48.6 t -138.88 117.72 12.36 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 172.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.13 164.67 12.77 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 11' ' ' ILE . 27.6 m-85 -63.63 -31.17 72.25 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.629 0.772 . . . . 0.0 109.57 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.0 -33.55 76.33 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.098 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' CD ' ' HZ1' ' A' ' 29' ' ' LYS . 42.2 mt-10 -78.14 -29.45 48.78 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.517 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 7.2 m-85 -52.08 -54.52 29.33 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 123.479 0.487 . . . . 0.0 110.041 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.429 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 1.3 tpt -59.53 -41.89 91.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.983 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.59 -52.64 63.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.428 0.632 . . . . 0.0 111.424 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -64.23 -43.56 94.56 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 73' ' ' PHE . 14.9 p -71.53 -38.87 69.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.588 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -68.66 -30.59 69.31 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.029 -0.669 . . . . 0.0 111.405 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -78.11 -29.61 49.02 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.614 -1.634 . . . . 0.0 111.624 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.34 -52.57 12.48 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.917 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 m -84.8 -39.08 18.8 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 19.2 m -86.71 -53.83 4.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -23.59 12.99 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.2 p -72.55 -65.79 0.74 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -126.83 -1.77 6.62 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.753 -0.592 . . . . 0.0 112.428 -176.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 82' ' ' THR . 61.4 mm-40 -97.23 -38.97 9.48 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.83 146.31 24.54 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 65.26 33.14 9.43 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.907 0.883 . . . . 0.0 109.733 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -165.8 -74.58 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.525 -176.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -76.11 -39.47 55.12 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 106.727 -1.582 . . . . 0.0 106.727 173.678 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.08 -49.98 63.24 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.635 0.774 . . . . 0.0 109.694 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.91 95.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.483 -176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.434 ' O ' HG21 ' B' ' 8' ' ' VAL . 34.0 tt0 -54.47 -57.7 10.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.781 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -53.22 -44.08 67.75 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.202 1.001 . . . . 0.0 110.99 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.48 92.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -62.51 -47.17 85.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.027 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.434 HG21 ' O ' ' B' ' 4' ' ' GLU . 96.8 t -59.34 -45.7 93.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.97 83.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.1 -42.77 93.7 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.441 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 41.6 pt -74.24 -33.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.666 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -83.97 -26.85 28.89 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.413 -176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.34 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-O 121.235 0.54 . . . . 0.0 110.215 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' B' ' 27' ' ' LEU . 87.2 t80 -63.24 -46.51 86.58 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 122.101 0.953 . . . . 0.0 108.639 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -59.53 -49.1 79.1 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.898 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -59.55 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.693 0.797 . . . . 0.0 112.699 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.79 -51.39 68.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.1 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.4 t -146.14 96.95 2.87 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.269 0.557 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.04 60.18 4.14 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.282 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.92 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.5 -48.49 32.92 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.432 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -59.91 -58.86 11.98 Favored Glycine 0 CA--C 1.488 -1.645 0 O-C-N 124.659 1.224 . . . . 0.0 111.182 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -44.98 -54.85 6.08 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.592 0.71 . . . . 0.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -81.25 -63.03 1.49 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -126.17 26.54 6.46 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -169.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 9.4 mmpt? 62.7 -166.15 0.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.865 0.728 . . . . 0.0 111.991 175.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.453 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 61.2 mt -147.99 152.47 37.52 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 123.918 0.887 . . . . 0.0 108.642 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -81.61 154.7 26.02 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.69 0.619 . . . . 0.0 109.73 175.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.569 ' HZ1' ' CD ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -63.42 -18.05 63.31 Favored 'General case' 0 C--O 1.206 -1.229 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.573 173.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.711 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 2.4 m -52.44 -39.32 60.9 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 123.03 0.532 . . . . 0.0 109.854 172.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.47 -19.56 45.72 Favored 'General case' 0 C--O 1.258 1.548 0 CA-C-O 122.053 0.93 . . . . 0.0 110.768 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 22.5 tp -61.95 -19.2 62.5 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.716 174.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.711 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -51.52 -34.76 37.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.921 0.889 . . . . 0.0 112.368 176.15 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' HG3' ' CD ' ' B' ' 33' ' ' LYS . 11.9 mt-10 -84.02 -35.72 23.66 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.384 0.611 . . . . 0.0 110.724 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.64 -33.44 70.98 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.656 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.443 HG22 HD22 ' B' ' 40' ' ' LEU . 10.9 pt -69.11 -41.92 81.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 121.86 -0.525 . . . . 0.0 110.874 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.23 -32.01 64.07 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 123.939 0.775 . . . . 0.0 111.37 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -91.86 -59.47 2.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -87.25 -63.0 1.37 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -171.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.443 HD22 HG22 ' B' ' 36' ' ' ILE . 5.0 mp -70.06 -19.36 63.29 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -170.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -130.38 99.19 4.92 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.334 0.587 . . . . 0.0 110.083 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.499 ' O ' HD23 ' B' ' 44' ' ' LEU . 52.4 p-80 -142.53 102.32 4.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.791 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 71.58 3.91 4.85 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 124.011 0.925 . . . . 0.0 112.842 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.499 HD23 ' O ' ' B' ' 42' ' ' HIS . 2.6 mm? -82.66 76.31 9.52 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -130.38 -16.35 3.5 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.865 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -95.57 -4.74 44.08 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.441 HD11 ' OE2' ' B' ' 49' ' ' GLU . 34.6 mt -106.99 -86.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.231 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.69 -175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -150.52 7.09 0.57 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.168 0.509 . . . . 0.0 110.779 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.471 ' O ' HG23 ' B' ' 53' ' ' VAL . 20.4 mp0 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -56.51 -31.64 64.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.126 0.489 . . . . 0.0 111.359 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 17.1 mm-40 -71.62 -50.9 26.45 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -68.14 -28.1 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.307 -174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.55 ' O ' HG13 ' B' ' 56' ' ' VAL . 73.2 t -64.61 -35.05 73.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.244 0.545 . . . . 0.0 109.773 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 51' ' ' GLU . 25.5 mmmt -64.12 -35.9 82.27 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.954 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.705 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.7 p -68.59 -32.0 53.38 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.4 mmt -69.99 -41.97 73.7 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.48 -49.98 74.6 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.107 0.479 . . . . 0.0 110.553 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.1 p -68.61 -42.45 78.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.569 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 8.3 tp -51.33 -50.16 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.891 0.877 . . . . 0.0 110.36 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.95 -46.04 72.54 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.37 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.39 -43.81 59.81 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.93 -6.72 57.08 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 122.358 1.075 . . . . 0.0 110.566 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.26 59.57 0.04 OUTLIER Glycine 0 C--N 1.3 -1.417 0 CA-C-N 114.371 -1.286 . . . . 0.0 115.071 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.88 -41.18 0.4 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 123.583 0.753 . . . . 0.0 109.715 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.38 45.42 3.13 Favored Glycine 0 CA--C 1.488 -1.634 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.848 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 57.41 -160.13 0.24 Allowed 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 125.699 1.6 . . . . 0.0 110.695 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.543 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 46.3 t -140.87 115.84 9.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 172.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -92.61 165.74 12.84 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 29.1 m-85 -67.91 -28.89 67.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.63 -32.44 73.92 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.749 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.569 ' CD ' ' HZ1' ' B' ' 29' ' ' LYS . 44.7 mt-10 -78.99 -31.98 45.05 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.505 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 6.8 m-85 -50.7 -54.65 21.45 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.58 0.55 . . . . 0.0 109.958 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.404 ' HE2' ' HA ' ' B' ' 74' ' ' MET . 1.5 tpt -59.44 -41.6 89.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.099 -179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.54 67.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.392 0.615 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.23 -45.44 88.18 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.537 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.85 -38.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.633 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.95 -29.25 67.45 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.47 -176.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.42 -29.81 42.06 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.336 -1.746 . . . . 0.0 111.737 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.3 m -84.21 -52.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.977 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -84.5 -39.37 18.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.354 0.597 . . . . 0.0 112.364 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 17.0 m -88.12 -52.11 5.42 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.77 -6.16 3.43 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.23 -58.85 2.59 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.348 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' B' ' 89' ' ' GLU . 70.7 t60 -131.99 -9.25 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -92.12 -37.66 12.62 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.328 -0.857 . . . . 0.0 110.442 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -89.12 145.49 25.42 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 176.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 65.4 32.22 9.8 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.772 0.67 . . . . 0.0 110.578 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 8.6 tp10 -164.29 -75.38 0.04 OUTLIER 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.628 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -70.02 -45.87 66.29 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 N--CA 1.409 -2.523 0 CA-C-N 114.355 -1.293 . . . . 0.0 108.01 174.393 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.316 0.579 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.38 -40.56 94.76 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.532 0.682 . . . . 0.0 110.418 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.2 -22.56 61.25 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.0 -44.42 89.32 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.87 -38.0 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.404 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.29 -47.01 71.9 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.953 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -63.58 -40.83 97.97 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 109.774 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.34 -35.0 63.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.875 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -45.01 91.86 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.182 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.9 mp -61.83 -51.79 66.8 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 121.415 0.626 . . . . 0.0 110.307 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 pt -72.45 -37.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.596 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.8 t70 -69.03 -41.04 78.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.328 -0.233 . . . . 0.0 111.172 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.83 -35.92 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.522 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 2.8 m-30 -63.31 -38.14 90.0 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -68.83 -42.02 77.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.8 mm-40 -53.46 -41.78 66.5 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.899 0.479 . . . . 0.0 111.824 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.33 62.68 2.39 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.6 m 60.38 14.47 4.74 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.333 1.053 . . . . 0.0 113.032 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' A' ' 23' ' ' ASP . . . -83.34 62.47 4.62 Favored Glycine 0 CA--C 1.495 -1.209 0 CA-C-O 121.584 0.547 . . . . 0.0 113.85 -174.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 -34.06 0.88 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.755 -0.722 . . . . 0.0 109.937 173.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.15 -42.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.871 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.31 -45.15 75.5 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 175.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.529 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 21.6 t70 -93.82 152.25 19.04 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.47 15.79 0.56 Allowed 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 125.481 1.512 . . . . 0.0 111.375 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.402 ' O ' ' HE3' ' A' ' 26' ' ' LYS . 22.1 m80 59.84 29.11 18.69 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.963 0.887 . . . . 0.0 109.133 -170.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 7.7 mmpt? -149.85 106.45 3.52 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 101.945 -3.354 . . . . 0.0 101.945 -177.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.522 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 tm? -75.79 -35.4 60.1 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -159.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HZ2' ' HB2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 74.77 136.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.762 0.791 . . . . 0.0 110.831 -175.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 8.2 mtmp? -63.75 -22.73 67.06 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.481 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.653 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.9 m -55.99 -47.46 77.68 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.294 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.79 -18.17 38.62 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 121.585 0.707 . . . . 0.0 111.252 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.9 tm? -61.03 -20.29 62.37 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.26 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.653 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.29 -38.39 65.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.796 0.838 . . . . 0.0 112.333 174.283 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.551 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 25.2 mt-10 -74.03 -35.24 64.32 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.36 -53.66 53.81 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.757 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.5 pt -64.14 -38.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.9 -44.73 39.03 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.208 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -101.3 -64.07 1.08 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -78.98 -5.88 54.93 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' ' 77' ' ' VAL . 4.8 tt -90.33 -44.5 9.64 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.2 m -137.6 136.18 37.31 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -76.49 -67.73 0.66 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 166.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -127.43 21.49 6.61 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.74 87.65 6.32 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 50' ' ' GLN . 36.5 mt-10 -144.04 17.11 1.75 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 18.09 2.46 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.02 -60.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -150.33 -31.19 0.2 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.837 0.855 . . . . 0.0 111.495 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.73 -25.72 68.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 C-N-CA 124.797 1.239 . . . . 0.0 110.753 -178.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 28.2 pt20 -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.433 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.46 -48.38 11.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.674 0.749 . . . . 0.0 109.61 173.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.48 -37.86 80.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' O ' ' HG2' ' A' ' 57' ' ' MET . 58.9 t -55.32 -40.98 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.99 -42.46 94.51 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.172 0.511 . . . . 0.0 110.521 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -69.42 -32.64 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.6 0.714 . . . . 0.0 110.031 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 t -62.5 -39.05 82.99 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 C-N-CA 124.539 1.136 . . . . 0.0 110.557 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.3 mmt -66.41 -24.53 66.48 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.34 -60.84 2.21 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.519 0.676 . . . . 0.0 109.382 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 56' ' ' VAL . 6.6 p -56.52 -33.34 65.95 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.772 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.3 tp -49.41 -33.43 13.89 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.817 1.247 . . . . 0.0 110.921 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -114.34 -40.98 3.54 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.088 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.24 -28.18 69.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.57 -69.0 0.35 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.889 0.376 . . . . 0.0 110.637 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.18 37.13 91.32 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.089 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.41 -37.53 81.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 117.251 0.526 . . . . 0.0 111.038 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.49 87.42 0.06 OUTLIER Glycine 0 N--CA 1.411 -2.988 0 C-N-CA 118.944 -1.598 . . . . 0.0 114.309 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 65.76 -149.17 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.8 t -151.9 123.96 8.12 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.737 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 4.1 m-20 -126.87 -161.95 1.11 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -64.19 -22.64 67.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -72.77 -50.85 21.76 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.199 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 22.9 mp0 -63.88 -39.16 93.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -53.26 -62.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.125 178.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.427 ' HE3' ' HB3' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -60.21 -40.34 89.79 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.876 0.735 . . . . 0.0 111.116 -179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -57.26 -55.16 38.38 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 123.466 0.479 . . . . 0.0 111.879 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -64.38 -48.98 73.42 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.3 p -66.14 -34.5 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.427 ' HB3' ' HE3' ' A' ' 74' ' ' MET . . . -76.68 -51.07 12.2 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 119.384 -0.927 . . . . 0.0 111.315 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.4 ptt? -65.88 -23.96 66.76 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.34 -51.85 30.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.86 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -78.97 -27.17 43.44 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.4 p -98.5 -86.15 0.36 Allowed 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.096 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.05 6.84 1.03 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.604 1.561 . . . . 0.0 113.113 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.8 t -161.11 151.59 17.93 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -76.07 32.36 0.12 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.647 0.779 . . . . 0.0 111.694 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -86.17 -39.96 16.12 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 123.633 0.773 . . . . 0.0 110.418 -174.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 91' ' ' GLU . 44.9 p90 -60.7 20.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 128.207 2.603 . . . . 0.0 117.928 -168.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . 0.25 96.6 m-85 -82.04 61.27 5.25 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 120.571 1.532 . . . . 0.0 114.517 -175.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 90' ' ' HIS . 39.6 tt0 165.97 -59.32 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 127.623 2.369 . . . . 0.0 107.722 175.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 89' ' ' GLU . 93.0 m-70 -151.1 -33.29 0.15 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.797 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 87' ' ' PHE . 9.9 pt-20 . . . . . 0 N--CA 1.412 -2.373 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -172.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.439 -1.002 0 CA-C-O 121.658 0.742 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -64.78 -33.82 76.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.003 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.28 -25.02 54.48 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.36 -49.84 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.97 -39.13 93.45 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.246 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.494 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -67.8 -44.61 76.94 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.915 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -64.97 -41.06 95.77 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.86 -35.53 61.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.473 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.19 93.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.339 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.494 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.9 mp -62.21 -49.28 76.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.499 0.666 . . . . 0.0 110.323 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.37 -35.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -173.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 25.1 t70 -71.14 -41.48 70.42 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 122.184 -0.323 . . . . 0.0 110.973 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.95 -37.68 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.473 ' CD1' ' HG ' ' B' ' 27' ' ' LEU . 2.3 m-30 -62.79 -37.65 87.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.188 0.518 . . . . 0.0 111.127 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' B' ' 20' ' ' ARG . 27.2 t60 -68.33 -42.38 79.43 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.79 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 77.1 mm-40 -55.47 -37.88 68.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -77.98 53.62 1.2 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m 67.39 13.71 9.43 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.617 1.167 . . . . 0.0 112.384 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.566 ' HA2' ' HB3' ' B' ' 23' ' ' ASP . . . -81.61 59.86 4.79 Favored Glycine 0 CA--C 1.499 -0.952 0 CA-C-O 121.608 0.56 . . . . 0.0 114.01 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.475 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -135.61 -31.22 0.96 Allowed 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.728 -0.736 . . . . 0.0 110.226 174.203 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -45.09 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 111.18 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.99 70.2 Favored Glycine 0 CA--C 1.491 -1.435 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.491 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.566 ' HB3' ' HA2' ' B' ' 19' ' ' GLY . 19.3 t70 -95.2 154.83 17.0 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -77.37 15.7 0.72 Allowed 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 124.78 1.232 . . . . 0.0 111.423 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.425 ' O ' ' HE3' ' B' ' 26' ' ' LYS . 25.2 m80 59.88 28.11 17.55 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.756 0.789 . . . . 0.0 109.486 -169.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 25' ' ' HIS . 7.8 mmpt? -150.47 108.7 3.76 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 -178.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' B' ' 14' ' ' PHE . 2.3 tm? -78.29 -34.77 48.66 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -158.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.424 ' HZ2' ' HB2' ' B' ' 28' ' ' LYS . 0.2 OUTLIER 75.19 136.73 0.06 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.687 -175.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.481 ' HB2' ' NZ ' ' B' ' 29' ' ' LYS . 8.3 mtmp? -64.78 -21.64 66.82 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.549 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.683 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 3.8 m -55.67 -49.08 73.9 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.742 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -81.82 -18.24 44.67 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 111.441 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.46 ' O ' HD12 ' B' ' 32' ' ' LEU . 2.8 tm? -60.9 -20.32 61.84 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.683 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.3 -37.28 64.62 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.985 0.914 . . . . 0.0 112.343 174.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.525 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 26.1 mt-10 -76.5 -34.86 58.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 177.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.09 -52.14 66.16 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 7.4 pt -64.36 -38.47 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.98 -41.31 36.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -100.5 -67.02 0.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -79.37 -5.71 55.18 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.419 ' HG ' HG22 ' B' ' 77' ' ' VAL . 4.8 tt -89.19 -42.49 11.62 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.1 m -142.72 137.45 29.84 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -80.75 -61.36 1.99 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -129.73 18.2 5.71 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.0 87.81 5.98 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -143.88 13.73 1.69 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -140.71 22.43 2.31 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -169.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.76 -63.93 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -147.62 -29.84 0.33 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.402 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -64.98 -23.94 67.37 Favored 'General case' 0 N--CA 1.421 -1.892 0 C-N-CA 124.776 1.23 . . . . 0.0 110.881 -178.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -56.38 -32.01 64.38 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.887 0.375 . . . . 0.0 111.687 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.46 -50.56 8.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.934 0.873 . . . . 0.0 109.689 172.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.408 HG12 HG21 ' B' ' 56' ' ' VAL . 24.2 t -64.78 -39.63 86.31 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' B' ' 57' ' ' MET . 70.0 t -54.82 -40.06 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.798 0.439 . . . . 0.0 112.147 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.58 -43.06 90.93 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.071 0.462 . . . . 0.0 110.722 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 26.2 mtpp -70.53 -31.11 68.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.838 0.828 . . . . 0.0 109.662 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.87 -39.48 85.18 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.692 0 C-N-CA 124.424 1.09 . . . . 0.0 110.705 173.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.58 -25.11 67.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.461 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 39.0 mt-10 -79.69 -61.22 2.06 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' VAL . 7.0 p -56.08 -33.66 65.26 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.061 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.6 tp -48.9 -34.89 13.62 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.052 1.341 . . . . 0.0 110.849 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -111.62 -42.37 3.86 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.248 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -61.31 -30.99 70.84 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.49 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.138 0.495 . . . . 0.0 110.508 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.66 30.97 76.25 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.21 -35.08 69.21 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.221 0.51 . . . . 0.0 112.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.64 87.47 0.06 OUTLIER Glycine 0 N--CA 1.414 -2.796 0 C-N-CA 118.974 -1.584 . . . . 0.0 114.226 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.12 -141.82 0.58 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' HZ ' ' B' ' 14' ' ' PHE . 41.1 t -153.3 123.64 7.09 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.64 176.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 4.2 m-20 -125.82 -163.75 1.24 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.95 1.406 . . . . 0.0 107.267 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.24 -23.55 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.82 -53.22 19.2 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.158 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.5 mp0 -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.54 ' O ' HG11 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -52.78 -61.89 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.085 179.25 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.43 ' HE3' ' HB3' ' B' ' 78' ' ' ALA . 0.4 OUTLIER -60.64 -39.78 89.56 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -57.33 -56.6 19.75 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.545 0.528 . . . . 0.0 111.649 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -63.65 -47.99 79.05 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.54 HG11 ' O ' ' B' ' 73' ' ' PHE . 8.2 p -66.89 -34.35 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.43 ' HB3' ' HE3' ' B' ' 74' ' ' MET . . . -76.97 -51.26 11.45 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.506 -0.877 . . . . 0.0 111.172 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.5 ptt? -65.67 -24.41 67.0 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.8 m -71.55 -50.59 38.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.936 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 69.9 m -79.87 -28.01 40.01 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -97.2 -85.27 0.36 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.9 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 57.56 14.44 2.32 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.505 1.522 . . . . 0.0 113.068 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' B' ' 86' ' ' GLU . 51.3 t -168.31 153.68 6.69 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -76.06 30.6 0.11 Allowed 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 123.888 0.875 . . . . 0.0 111.811 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 84' ' ' CYS . 8.0 tp10 -85.32 -38.87 18.31 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 123.199 0.599 . . . . 0.0 110.643 -173.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' B' ' 91' ' ' GLU . 45.5 p90 -61.53 21.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 -168.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . 0.275 97.3 m-85 -83.53 60.67 5.8 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 120.764 1.62 . . . . 0.0 114.33 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.53 ' HG2' ' CD2' ' B' ' 90' ' ' HIS . 41.5 tt0 167.11 -62.0 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 128.144 2.578 . . . . 0.0 107.417 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.53 ' CD2' ' HG2' ' B' ' 89' ' ' GLU . 98.1 m-70 -150.59 -28.46 0.22 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.712 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' B' ' 87' ' ' PHE . 10.5 pt-20 . . . . . 0 N--CA 1.409 -2.502 0 N-CA-C 100.411 -3.922 . . . . 0.0 100.411 -173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 73.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -80.71 -33.77 35.04 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.04 -39.34 90.07 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' HG2' ' ND1' ' B' ' 42' ' ' HIS . 1.4 tm-20 -56.44 -55.68 30.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.295 1.438 . . . . 0.0 108.494 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.09 -41.67 79.33 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.327 0.651 . . . . 0.0 111.955 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' HB3' ' HG ' ' B' ' 10' ' ' LEU . . . -59.09 -48.52 81.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.796 0.685 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.573 ' SD ' HG23 ' B' ' 77' ' ' VAL . 33.2 ttp -59.5 -46.6 88.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.773 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 4' ' ' GLU . 59.5 t -58.77 -45.58 91.19 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.904 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.882 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.26 79.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.863 0.363 . . . . 0.0 111.476 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.629 ' O ' HG13 ' A' ' 13' ' ' VAL . 94.1 mt -72.52 -43.16 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.046 0.451 . . . . 0.0 111.599 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.61 -32.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.178 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 30.3 t70 -72.53 -23.82 61.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.334 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 10' ' ' LEU . 6.2 p -69.78 -33.46 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.677 176.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -68.61 -40.04 80.56 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.512 ' HB2' ' OXT' ' B' ' 91' ' ' GLU . 13.7 t60 -55.26 -55.37 32.12 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.727 0.811 . . . . 0.0 110.458 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.1 mt-30 -57.24 -56.95 15.15 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.947 0.899 . . . . 0.0 112.303 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -93.54 16.23 14.16 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -49.86 108.8 0.23 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -88.42 88.36 1.54 Allowed Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 176.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' NE ' ' HG2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.82 -34.8 55.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -171.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG2' ' NE ' ' A' ' 20' ' ' ARG . 57.1 mm-40 -110.33 -67.98 0.96 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.25 -31.09 68.69 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 114.704 0.642 . . . . 0.0 114.704 -174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 4.3 m-20 -98.21 9.98 41.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 117.002 0.401 . . . . 0.0 111.892 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 65.79 25.12 11.37 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 121.953 0.882 . . . . 0.0 109.782 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 14.5 t-80 81.85 -9.4 1.23 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.348 1.859 . . . . 0.0 112.021 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -101.82 -139.13 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.55 127.77 30.06 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 172.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 10.7 ptmt -77.25 155.93 31.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-O 121.656 0.741 . . . . 0.0 111.296 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 26.3 ttpt -63.23 -30.33 71.5 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.594 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -67.27 -31.02 71.06 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.91 0.386 . . . . 0.0 110.023 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.48 -18.92 43.48 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.081 -0.387 . . . . 0.0 110.115 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.78 -29.47 69.45 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -55.92 -55.46 32.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.771 0.796 . . . . 0.0 110.16 174.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.55 -34.33 77.66 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.3 -52.64 64.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 32' ' ' LEU . 20.6 pt -65.94 -39.96 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.28 -36.36 63.57 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -110.01 -55.14 2.49 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.2 -18.17 59.19 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.43 0.692 . . . . 0.0 112.183 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 3.5 tt -100.83 -55.07 2.66 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -40.32 124.86 2.0 Allowed 'General case' 0 C--O 1.241 0.627 0 C-N-CA 125.533 1.533 . . . . 0.0 114.294 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.449 ' ND1' ' HG2' ' B' ' 4' ' ' GLU . 50.0 p-80 -171.9 118.39 0.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.462 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 43.85 73.71 0.14 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.943 1.297 . . . . 0.0 113.175 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.46 -176.09 2.89 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.469 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 72.36 19.1 4.42 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.857 1.663 . . . . 0.0 111.834 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -129.38 -15.42 4.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 81' ' ' THR . 56.4 mt -96.35 -84.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.535 -171.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.6 69.8 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -28.21 1.84 Allowed 'General case' 0 C--N 1.27 -2.873 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.152 -170.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -53.91 -36.33 62.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.7 -46.97 28.19 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.41 0.624 . . . . 0.0 109.453 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.75 -47.59 90.31 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.232 -173.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' A' ' 57' ' ' MET . 87.4 t -56.28 -45.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 123.557 0.536 . . . . 0.0 111.245 -176.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.65 -44.53 90.12 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -64.34 -37.47 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.465 . . . . 0.0 110.139 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.5 t -57.49 -53.28 46.28 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 124.516 1.126 . . . . 0.0 110.108 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.5 mmt -59.73 -37.37 78.73 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 123.317 0.386 . . . . 0.0 111.458 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.28 -61.52 2.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.966 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -61.98 -43.49 98.74 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.313 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.0 tp -52.37 -46.48 66.2 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 124.025 0.93 . . . . 0.0 111.483 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -88.32 -33.62 17.94 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.06 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -71.53 -31.0 66.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.55 -48.88 77.54 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.12 43.03 97.79 Favored Glycine 0 C--O 1.249 1.073 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -87.44 155.04 20.19 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 117.111 0.455 . . . . 0.0 110.821 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.73 -14.41 78.07 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.759 -0.655 . . . . 0.0 114.247 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 12.4 pt-20 -143.28 177.39 8.45 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.41 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.457 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 11.7 t -142.33 134.06 26.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 173.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -98.88 166.01 11.5 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.692 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -57.96 -32.18 67.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.186 0.517 . . . . 0.0 110.631 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -66.1 -38.56 88.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.764 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 45.4 mt-10 -69.25 -40.09 78.06 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.279 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' O ' HG11 ' A' ' 77' ' ' VAL . 5.2 m-85 -53.2 -53.19 54.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.5 0.5 . . . . 0.0 110.605 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.458 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -54.71 -48.9 71.92 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.004 0.815 . . . . 0.0 111.593 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -59.69 -53.48 57.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.685 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 79.8 m-85 -62.96 -46.46 87.61 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.594 HG23 ' SD ' ' B' ' 7' ' ' MET . 7.2 p -66.49 -46.71 85.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.482 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -73.86 -28.64 61.68 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.239 -0.985 . . . . 0.0 111.741 -175.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.1 ptt? -77.77 -23.59 49.18 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.011 -1.476 . . . . 0.0 111.853 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.3 -52.76 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.044 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 47' ' ' ILE . 22.9 m -86.04 -41.76 14.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 50.6 m -86.8 -39.76 15.6 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.682 -0.636 . . . . 0.0 112.43 -172.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.96 71.9 2.09 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.2 t -84.68 -47.6 10.31 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 103.751 -2.685 . . . . 0.0 103.751 168.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -150.25 167.3 27.35 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -77.5 88.01 3.84 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 119.05 0.841 . . . . 0.0 112.87 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 59.39 70.89 0.61 Allowed 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 113.976 -1.465 . . . . 0.0 112.456 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.45 -60.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.366 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -73.9 -3.64 30.18 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -139.25 -49.39 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 122.067 -0.395 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 47.4 mt-10 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 -164.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 16.9 m . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 120.942 0.401 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.91 -38.78 44.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.32 -37.92 89.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.456 ' HB3' ' O ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -58.01 -53.98 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 108.891 177.398 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -59.39 -41.11 88.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.287 0.635 . . . . 0.0 111.389 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.428 ' HB3' ' HG ' ' A' ' 10' ' ' LEU . . . -58.9 -48.21 82.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.594 ' SD ' HG23 ' A' ' 77' ' ' VAL . 34.0 ttp -59.62 -46.62 88.45 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.866 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.59 -48.62 86.7 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.921 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.234 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -34.07 70.53 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.773 0.321 . . . . 0.0 111.555 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.568 ' O ' HG11 ' B' ' 13' ' ' VAL . 92.9 mt -74.24 -45.13 49.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.948 0.404 . . . . 0.0 111.745 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 pt -74.84 -31.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.488 0.661 . . . . 0.0 110.967 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 33.8 t70 -73.01 -23.76 60.66 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.362 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.568 HG11 ' O ' ' B' ' 10' ' ' LEU . 9.7 p -70.94 -32.74 49.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.649 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.75 -35.52 77.21 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.508 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 15.3 t60 -59.68 -54.66 43.79 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.699 0.8 . . . . 0.0 110.998 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.595 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 79.3 mt-30 -60.93 -48.67 80.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.526 -178.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.36 27.47 6.21 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.831 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.4 p -60.98 105.15 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.27 89.66 1.39 Allowed Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -35.91 63.08 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 115.302 1.594 . . . . 0.0 115.302 -169.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -114.94 -52.08 2.71 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.11 -27.64 69.84 Favored Glycine 0 N--CA 1.461 0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.915 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.408 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 7.5 m-20 -101.13 9.47 41.97 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 122.841 -0.211 . . . . 0.0 110.674 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.7 tttt 64.03 26.44 14.05 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.111 0.958 . . . . 0.0 109.647 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 80.21 -6.86 1.69 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.85 2.06 . . . . 0.0 111.905 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -103.6 -138.65 0.35 Allowed 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -136.16 126.4 26.44 Favored 'General case' 0 CA--C 1.478 -1.823 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 172.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 10.9 ptmt -75.19 158.88 32.29 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.553 0.692 . . . . 0.0 111.56 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -63.78 -33.77 76.41 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.397 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.07 -30.3 71.24 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 121.542 0.687 . . . . 0.0 109.936 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.51 -18.6 41.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.543 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.494 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -63.05 -28.08 69.84 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -56.3 -56.49 20.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.671 0.748 . . . . 0.0 110.364 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.83 -34.57 78.68 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.94 -49.34 77.84 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.369 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.502 ' O ' ' HB3' ' B' ' 40' ' ' LEU . 21.2 pt -70.34 -37.82 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.07 -40.54 77.08 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -105.88 -52.13 2.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.97 -18.25 50.85 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.972 0.509 . . . . 0.0 112.356 -169.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 36' ' ' ILE . 3.6 tt -99.77 -55.33 2.68 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.3 t -41.71 128.52 3.31 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 125.084 1.354 . . . . 0.0 114.578 -170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.482 ' ND1' ' HG2' ' A' ' 4' ' ' GLU . 54.3 p-80 -173.17 120.81 0.36 Allowed 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.955 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 40.94 73.38 0.13 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.962 1.305 . . . . 0.0 113.526 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 98.7 mt -109.59 -174.01 2.4 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.432 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 74.28 11.0 4.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.736 1.614 . . . . 0.0 111.574 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -121.54 -17.82 7.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.836 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.423 HG23 ' O ' ' B' ' 81' ' ' THR . 54.9 mt -93.74 -85.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.353 -172.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.43 68.68 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -21.78 2.74 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.329 -172.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -56.18 -33.11 64.96 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.43 -51.24 10.33 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.2 -47.75 90.89 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.162 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.602 -172.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.525 ' O ' ' HG2' ' B' ' 57' ' ' MET . 94.8 t -56.67 -43.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 O-C-N 123.406 0.441 . . . . 0.0 111.766 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.54 -39.53 77.41 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -66.32 -37.85 86.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 3.6 t -57.16 -54.74 26.4 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 C-N-CA 124.502 1.121 . . . . 0.0 110.111 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.5 mmt -59.0 -36.36 74.79 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 123.252 0.345 . . . . 0.0 111.467 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.65 -61.85 1.85 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -64.0 -42.48 97.17 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.6 tp -51.67 -51.02 59.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.797 0.839 . . . . 0.0 110.98 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.05 -37.91 28.27 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.093 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.04 -35.26 76.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.55 -45.84 90.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.0 56.72 21.71 Favored Glycine 0 CA--C 1.502 -0.773 0 CA-C-N 114.542 -1.208 . . . . 0.0 114.465 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -98.01 152.08 19.65 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.3 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.69 -20.2 67.96 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 114.958 0.743 . . . . 0.0 114.958 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 10.1 pt-20 -139.89 173.36 11.61 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 117.912 0.856 . . . . 0.0 112.202 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.491 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.5 t -139.34 131.36 27.9 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 105.607 -1.998 . . . . 0.0 105.607 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -97.73 169.13 9.89 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.169 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -59.64 -31.6 69.66 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.121 0.486 . . . . 0.0 111.044 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -66.5 -36.33 82.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.628 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.51 ' O ' ' HD2' ' B' ' 76' ' ' PHE . 44.3 mt-10 -71.25 -40.76 70.8 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.73 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.608 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.3 m-85 -53.18 -54.49 35.13 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.395 0.435 . . . . 0.0 110.754 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.411 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.23 -48.5 71.01 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 124.008 0.817 . . . . 0.0 111.951 178.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -59.48 -53.52 57.17 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.618 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.51 ' HD2' ' O ' ' B' ' 72' ' ' GLU . 81.0 m-85 -62.78 -46.9 85.83 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.608 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.2 p -66.13 -47.19 85.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.686 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.6 ptt? -76.51 -23.48 53.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.293 -1.363 . . . . 0.0 111.961 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 m -82.41 -52.53 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.423 ' O ' HG23 ' B' ' 47' ' ' ILE . 22.3 m -85.87 -40.81 15.56 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 61.3 m -89.0 -38.64 14.28 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.52 -0.738 . . . . 0.0 112.477 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.45 75.59 1.93 Allowed 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 42.2 t -90.32 -44.92 9.37 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.0 -2.593 . . . . 0.0 104.0 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -155.01 166.65 32.91 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 102.797 -3.038 . . . . 0.0 102.797 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.86 88.13 2.86 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 55.89 76.73 0.27 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.677 1.591 . . . . 0.0 112.209 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -136.05 -64.51 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.203 -0.31 . . . . 0.0 111.004 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.08 -26.05 65.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.208 0.528 . . . . 0.0 111.592 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -116.22 -46.38 2.8 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.755 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.512 ' OXT' ' HB2' ' A' ' 15' ' ' HIS . 45.4 mt-10 . . . . . 0 C--O 1.239 0.534 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 -164.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.567 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 m . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.171 0.51 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.79 -28.42 24.52 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 40' ' ' LEU . 2.7 tm? -69.12 -40.89 78.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.182 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.1 pt-20 -56.69 -44.11 81.17 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.4 -45.84 92.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.782 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.02 96.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.432 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.584 ' SD ' HG23 ' B' ' 77' ' ' VAL . 57.0 ttp -65.26 -43.35 91.59 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 120.939 0.399 . . . . 0.0 110.753 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 4' ' ' GLU . 78.0 t -60.85 -45.37 98.19 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.051 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -57.45 -52.18 66.43 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 122.814 0.446 . . . . 0.0 111.449 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -56.49 -47.9 78.29 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.258 0.551 . . . . 0.0 111.536 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.11 -41.9 67.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.315 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 17.6 t70 -76.85 -25.28 52.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 9' ' ' ALA . 71.3 t -66.05 -36.44 77.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.835 174.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -72.17 -23.71 61.32 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.216 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 50.3 t60 -65.77 -40.63 92.2 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 121.368 0.604 . . . . 0.0 109.845 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -68.24 -15.27 63.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.224 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.71 146.69 29.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.511 0.672 . . . . 0.0 109.703 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 m -87.7 6.88 32.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.169 0.509 . . . . 0.0 111.725 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 50.68 0.75 Allowed Glycine 0 C--O 1.198 -2.149 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.398 -178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 -41.65 2.4 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.512 172.778 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.24 -39.29 15.56 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.84 -29.31 74.48 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.224 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 25' ' ' HIS . 6.7 t70 -100.21 -165.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' H ' ' CG ' ' A' ' 23' ' ' ASP . 55.1 tttm -81.71 28.38 0.41 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.017 1.727 . . . . 0.0 109.785 -175.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 24.7 m-70 71.75 8.45 6.11 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.254 1.421 . . . . 0.0 109.927 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -125.97 169.0 13.15 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.99 -17.28 13.63 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' C ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 mptt 74.05 132.49 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.134 1.374 . . . . 0.0 108.265 -168.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 85.0 mttt -63.68 -24.2 67.69 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.146 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 27.3 t -56.4 -41.66 76.66 Favored 'General case' 0 C--O 1.199 -1.564 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.8 -17.35 59.08 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 121.377 -0.827 . . . . 0.0 113.057 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.87 -26.18 67.99 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HB2' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -61.09 -31.2 70.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.075 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -79.69 -33.15 41.34 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 0.0 109.981 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.48 -54.36 37.59 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.285 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 32' ' ' LEU . 11.9 pt -63.2 -34.59 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.86 -30.38 70.09 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.696 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -102.91 -57.8 1.98 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -82.82 -11.19 58.44 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD21 ' OG1' ' A' ' 81' ' ' THR . 1.4 tt -78.59 -39.44 37.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.887 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -31.65 97.58 0.01 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.373 1.869 . . . . 0.0 114.89 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.445 ' HD2' ' OE1' ' B' ' 4' ' ' GLU . 48.3 t-80 -140.89 82.54 1.85 Allowed 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.554 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 54.31 73.8 0.37 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.334 1.021 . . . . 0.0 110.441 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.435 HD11 ' OE1' ' A' ' 49' ' ' GLU . 2.4 mm? -60.07 -31.85 70.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.962 -172.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -69.26 -26.19 64.65 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.086 0.47 . . . . 0.0 111.427 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -88.06 -19.47 27.05 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 121.049 0.452 . . . . 0.0 112.148 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -104.44 179.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.134 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -77.35 -81.22 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 53' ' ' VAL . 62.8 mt-10 58.27 -67.84 0.03 OUTLIER 'General case' 0 C--O 1.193 -1.887 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -50.62 -39.19 49.65 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -163.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.93 -35.09 64.57 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.62 0.724 . . . . 0.0 109.676 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -86.91 -31.25 6.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.121 -171.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.56 ' O ' ' HG2' ' A' ' 57' ' ' MET . 86.4 t -54.21 -53.78 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.232 0.613 . . . . 0.0 111.443 -175.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.6 -41.29 97.22 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 123.503 0.502 . . . . 0.0 111.189 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -66.12 -42.42 89.2 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -58.21 -49.5 81.51 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.213 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.866 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -58.11 -39.78 79.54 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.56 -52.22 58.77 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.247 0.546 . . . . 0.0 110.64 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.2 p -70.41 -44.55 67.69 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 23.7 tp -56.63 -49.2 75.69 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 124.12 0.968 . . . . 0.0 110.751 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.64 -35.62 67.82 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.587 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -80.14 -41.34 25.58 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.28 -48.07 45.28 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -81.46 62.68 4.46 Favored Glycine 0 CA--C 1.498 -1.029 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.5 -176.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.71 -37.05 85.35 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 124.386 1.074 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' HA2' ' HE3' ' A' ' 28' ' ' LYS . . . -131.78 -32.52 0.46 Allowed Glycine 0 N--CA 1.431 -1.654 0 C-N-CA 120.031 -1.08 . . . . 0.0 114.219 -177.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 6.6 mm-40 -114.49 149.1 36.89 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.123 -171.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.543 ' HB2' ' C ' ' A' ' 28' ' ' LYS . 45.4 t -149.25 123.23 9.39 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.6 -176.73 3.03 Favored 'General case' 0 C--N 1.283 -2.315 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 2.1 p90 -75.73 -17.68 59.84 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.214 0.53 . . . . 0.0 111.905 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -77.15 -38.38 51.99 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.043 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 2.4 mp0 -71.84 -29.58 64.55 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -55.55 -54.23 46.65 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -47.45 85.66 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.474 0.654 . . . . 0.0 111.34 175.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.91 10.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.253 74.8 m-85 -66.25 -37.65 86.0 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -174.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.593 HG23 ' SD ' ' B' ' 7' ' ' MET . 4.7 p -64.87 -47.63 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.346 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.11 76.75 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.61 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 27.1 ptm -79.36 -23.25 43.49 Favored 'General case' 0 C--O 1.196 -1.726 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.33 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.16 -37.75 13.22 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.963 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.539 ' OG1' HD21 ' A' ' 40' ' ' LEU . 94.5 m -74.55 -59.25 2.81 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.145 0.578 . . . . 0.0 112.221 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 m -86.45 -60.66 1.93 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -173.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.61 ' HB1' ' O ' ' A' ' 79' ' ' MET . . . 58.59 128.2 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.5 t 68.85 -46.32 0.55 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.851 1.661 . . . . 0.0 113.351 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.7 85.32 2.32 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 123.538 0.735 . . . . 0.0 109.562 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.64 152.74 44.94 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.406 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.06 -18.15 0.38 Allowed 'General case' 0 C--O 1.178 -2.69 0 CA-C-O 118.191 -0.909 . . . . 0.0 113.059 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -42.63 -37.28 1.65 Allowed 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.014 1.326 . . . . 0.0 113.812 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.77 -25.14 65.47 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -130.72 -61.97 0.93 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.687 0.395 . . . . 0.0 111.825 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 117.48 -1.248 . . . . 0.0 111.597 -172.22 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' B' ' 4' ' ' GLU . 26.9 m . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.119 0.485 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -85.03 -27.66 26.24 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 40' ' ' LEU . 2.6 tm? -67.68 -41.02 84.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.303 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' B' ' 1' ' ' SER . 15.3 pt-20 -58.38 -42.15 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -62.52 -44.76 95.58 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.975 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.83 92.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.201 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.593 ' SD ' HG23 ' A' ' 77' ' ' VAL . 57.7 ttp -64.22 -44.13 92.84 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.003 0.43 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.56 -43.85 95.41 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.618 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.24 -53.05 62.51 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.286 0.366 . . . . 0.0 111.526 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.56 -47.11 80.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.244 0.545 . . . . 0.0 111.487 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.97 -42.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.225 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 19.2 t70 -76.98 -22.71 52.75 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 63.3 t -67.87 -37.38 78.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 121.659 -0.651 . . . . 0.0 109.591 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -71.68 -26.79 62.66 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.947 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 69.3 t60 -62.25 -43.47 98.76 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 121.348 0.594 . . . . 0.0 109.915 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.18 -22.71 67.04 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.885 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.18 144.66 40.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.18 0.514 . . . . 0.0 110.829 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -79.22 2.35 21.46 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.16 58.11 0.42 Allowed Glycine 0 C--O 1.198 -2.14 0 C-N-CA 119.637 -1.268 . . . . 0.0 114.089 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.56 ' O ' ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -127.1 -46.16 1.53 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.248 172.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.36 -40.77 20.89 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.77 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.918 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' B' ' 25' ' ' HIS . 6.3 t70 -94.36 -163.71 1.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' B' ' 24' ' ' LYS . 58.1 tttm -83.45 29.74 0.5 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.891 1.676 . . . . 0.0 109.122 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.56 ' HA ' ' O ' ' B' ' 20' ' ' ARG . 31.8 m-70 70.48 7.37 6.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.91 1.284 . . . . 0.0 109.906 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -123.78 172.27 8.99 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.44 -18.54 12.42 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.511 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.7 mptt 73.53 131.82 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.17 1.388 . . . . 0.0 108.175 -168.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 81.3 mttt -63.68 -22.55 66.96 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.176 -0.328 . . . . 0.0 111.173 -176.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 34.0 t -56.93 -43.56 81.6 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.14 -17.15 60.46 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.464 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.43 -26.31 68.43 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 172.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.597 ' HB2' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -60.99 -34.16 74.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 174.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -74.13 -38.42 63.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.494 0.664 . . . . 0.0 109.476 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.38 -54.36 46.55 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.776 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.7 pt -64.04 -32.1 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.41 -31.44 67.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.325 0.583 . . . . 0.0 110.836 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -106.56 -60.66 1.63 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -78.19 -8.69 58.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.514 HD21 ' OG1' ' B' ' 81' ' ' THR . 1.5 tt -80.74 -38.06 29.4 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.962 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -31.51 93.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.649 1.98 . . . . 0.0 115.251 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -139.49 80.23 1.76 Allowed 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.804 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 57.22 74.71 0.4 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.429 1.091 . . . . 0.0 111.089 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.457 HD11 ' OE1' ' B' ' 49' ' ' GLU . 2.3 mm? -60.7 -35.66 76.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.537 -172.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -20.34 64.99 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.485 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.15 3.28 40.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.852 -173.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 pt -126.68 173.07 13.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.092 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -72.41 -78.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.457 ' OE1' HD11 ' B' ' 44' ' ' LEU . 60.0 mt-10 54.02 -71.59 0.01 OUTLIER 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 177.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.13 -41.06 25.58 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -163.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.97 -38.9 76.2 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.958 0.885 . . . . 0.0 109.994 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -84.4 -30.21 7.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.946 -171.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' B' ' 57' ' ' MET . 86.6 t -54.27 -53.09 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.264 0.625 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 31.4 m-20 -65.58 -37.5 86.84 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.026 -176.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.39 -39.77 81.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.386 0.612 . . . . 0.0 109.702 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -59.66 -49.66 82.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.192 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.555 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.597 ' SD ' ' HB2' ' B' ' 33' ' ' LYS . 24.2 mmt -58.09 -38.34 76.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 42.6 mt-10 -63.46 -54.75 31.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 110.388 177.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 14.9 p -69.65 -45.56 68.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 21.8 tp -55.95 -47.13 78.15 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.237 1.015 . . . . 0.0 110.747 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.16 -36.97 64.14 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.499 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -78.06 -43.05 30.33 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.98 0.419 . . . . 0.0 112.025 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.2 -41.08 58.64 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.851 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -84.9 60.74 4.77 Favored Glycine 0 CA--C 1.495 -1.165 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.815 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.11 -37.99 89.24 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 124.472 1.109 . . . . 0.0 111.061 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.19 -29.07 0.52 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.031 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 9.3 mm-40 -114.86 148.21 38.86 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -171.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.511 ' HB2' ' C ' ' B' ' 28' ' ' LYS . 42.1 t -150.81 123.17 8.39 Favored 'General case' 0 CA--C 1.476 -1.901 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 162.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.64 -174.63 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' B' ' 73' ' ' PHE . 3.0 p90 -77.08 -17.65 58.56 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.91 -36.32 56.73 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.745 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.95 -30.06 62.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.547 ' O ' HG13 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -55.8 -52.76 62.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.452 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -48.01 83.44 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.414 0.626 . . . . 0.0 111.353 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -59.48 -55.93 28.36 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -174.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.268 74.0 m-85 -67.4 -36.65 81.72 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -174.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.584 HG23 ' SD ' ' A' ' 7' ' ' MET . 4.6 p -65.87 -46.69 87.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.213 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.17 78.42 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.605 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 26.6 ptm -78.9 -23.08 45.0 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.497 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.98 -38.7 14.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 118.048 -1.461 . . . . 0.0 109.904 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.514 ' OG1' HD21 ' B' ' 40' ' ' LEU . 91.8 m -74.32 -59.41 2.74 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 123.03 0.532 . . . . 0.0 112.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.2 m -85.32 -63.5 1.32 Allowed 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.887 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' B' ' 79' ' ' MET . . . 60.96 127.7 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.5 t 69.15 -45.02 0.55 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.945 1.698 . . . . 0.0 113.307 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.94 80.66 1.67 Allowed 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 123.609 0.763 . . . . 0.0 110.213 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.93 150.27 48.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.362 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 74.51 -13.59 0.79 Allowed 'General case' 0 C--O 1.179 -2.62 0 CA-C-O 118.268 -0.872 . . . . 0.0 112.79 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -47.32 -35.23 7.74 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.004 0.922 . . . . 0.0 113.258 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.72 -22.24 62.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -129.16 -64.16 0.92 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.735 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.012 -173.509 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' B' ' 39' ' ' GLU . 16.2 m . . . . . 0 C--O 1.257 1.462 0 CA-C-O 121.581 0.705 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.74 -44.93 70.33 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 125.336 1.455 . . . . 0.0 112.004 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.53 -28.64 68.71 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.79 -58.92 6.13 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.398 0.436 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -25.33 67.08 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.49 -55.62 5.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttp -68.52 -34.61 76.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -66.13 -30.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.04 71.87 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.602 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.93 -34.59 78.47 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.426 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 70.7 mt -71.76 -41.22 70.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.281 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 30.1 t70 -64.37 -29.71 70.77 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.97 0.891 . . . . 0.0 110.295 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.89 -35.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 13.4 m-85 -80.52 -9.37 59.77 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.814 0.816 . . . . 0.0 109.702 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.593 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 17.7 t60 -83.03 -43.46 16.31 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.509 ' HA ' HE21 ' A' ' 16' ' ' GLN . 0.0 OUTLIER -76.27 -46.44 27.98 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.483 179.406 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -96.33 126.06 41.27 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -151.39 106.74 3.33 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 121.379 0.609 . . . . 0.0 111.553 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.93 53.77 1.91 Allowed Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.4 ptt180 -59.37 -52.44 65.6 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.437 -0.881 . . . . 0.0 113.118 -173.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.552 ' OE1' ' HG3' ' A' ' 20' ' ' ARG . 8.5 mp0 -90.01 -50.82 5.8 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.187 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.04 -44.35 67.68 Favored Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -171.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -101.18 34.66 2.46 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 112.045 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 61.69 33.31 18.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 111.415 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 41.2 t-80 82.94 -1.95 1.26 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.764 1.626 . . . . 0.0 113.295 174.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -120.91 -171.4 2.18 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.871 -0.518 . . . . 0.0 110.292 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.96 -35.42 13.31 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -171.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 63.99 174.67 0.18 Allowed 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.904 0.859 . . . . 0.0 110.754 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.39 -19.05 59.77 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.929 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 4.7 m -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.26 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.09 -18.4 37.0 Favored 'General case' 0 CA--C 1.502 -0.868 0 C-N-CA 118.433 -1.307 . . . . 0.0 112.081 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.2 tm? -62.76 -26.99 68.98 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 30' ' ' SER . 4.2 ttmm -56.63 -55.49 33.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.47 1.108 . . . . 0.0 110.787 173.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.92 -27.71 68.39 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.243 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.3 tp -66.05 -58.38 5.62 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.85 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 40' ' ' LEU . 10.2 pt -55.66 -41.1 63.37 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 123.604 0.762 . . . . 0.0 113.024 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -73.58 -33.26 64.55 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -117.21 -78.41 0.58 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -76.96 -12.09 59.9 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.546 0.689 . . . . 0.0 112.691 -169.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 36' ' ' ILE . 8.0 tt -78.35 -42.43 30.55 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.006 0.431 . . . . 0.0 110.279 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 69.3 p -135.01 -166.28 1.8 Allowed 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.942 -166.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -99.58 -47.56 5.06 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 170.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -167.38 -55.92 0.03 OUTLIER 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.233 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 41' ' ' SER . 3.0 mm? 68.79 127.75 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.92 1.288 . . . . 0.0 111.569 -173.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -122.63 -86.6 0.65 Allowed 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -169.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -138.54 40.47 2.22 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.174 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -88.35 -49.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 120.74 0.305 . . . . 0.0 111.078 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -174.15 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -51.3 -31.23 20.71 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 126.909 2.084 . . . . 0.0 113.68 175.297 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -48.01 -35.32 10.81 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.433 1.093 . . . . 0.0 112.484 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -43.77 69.24 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 79' ' ' MET . 22.1 t -81.71 -30.22 10.46 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.493 -174.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 56' ' ' VAL . 77.1 t -60.63 -40.9 86.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.006 0.432 . . . . 0.0 110.742 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.22 -42.63 83.74 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.488 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.67 -33.39 75.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.304 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.666 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.4 p -70.49 -35.29 61.18 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.1 mmt -67.47 -39.23 85.26 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.84 -55.22 20.84 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -63.13 -39.07 93.61 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.0 0.52 . . . . 0.0 111.28 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.666 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 4.9 tp -51.78 -51.21 58.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.249 1.02 . . . . 0.0 109.794 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -72.23 -38.48 68.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.763 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.88 -59.95 3.88 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.076 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.34 -51.86 13.9 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.414 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.68 -86.68 0.07 OUTLIER Glycine 0 C--O 1.258 1.623 0 O-C-N 123.88 0.738 . . . . 0.0 113.829 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.98 172.28 8.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.63 0.772 . . . . 0.0 109.273 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.51 96.8 2.43 Favored Glycine 1 N--CA 1.394 -4.143 0 N-CA-C 104.45 -3.46 . . . . 0.0 104.45 -169.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.24 101.27 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.284 1.226 . . . . 0.0 111.167 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 t -79.99 122.93 27.34 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -140.6 -159.83 1.0 Allowed 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -51.01 -32.74 22.29 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -72.11 -55.18 7.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.226 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 50.4 mt-10 -68.26 -33.22 73.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.544 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.604 ' O ' HG13 ' A' ' 77' ' ' VAL . 8.4 m-85 -54.05 -55.53 26.56 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.325 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.9 99.44 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.308 0.38 . . . . 0.0 111.169 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.67 85.8 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.538 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 32.7 m-85 -76.01 -45.17 35.9 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 73' ' ' PHE . 5.8 p -62.94 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.466 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -71.57 -24.33 61.9 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.587 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.592 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 22.3 ptt? -85.12 -29.66 24.65 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.398 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.98 -43.13 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.716 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.53 -57.71 3.03 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.397 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 24.1 m -81.63 -68.2 0.71 Allowed 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.491 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' A' ' 79' ' ' MET . . . 58.91 -84.76 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.819 1.248 . . . . 0.0 111.711 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.72 118.3 15.92 Favored 'General case' 0 N--CA 1.414 -2.255 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.7 m80 56.06 89.52 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -133.84 14.06 3.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -91.05 16.56 9.4 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.696 -174.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -99.45 -18.58 17.38 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.261 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.98 -67.64 0.69 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.73 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -85.37 -57.28 3.14 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.237 0.413 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -169.432 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.432 ' HB2' ' HG3' ' B' ' 4' ' ' GLU . 12.9 m . . . . . 0 C--O 1.265 1.89 0 CA-C-O 121.292 0.568 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -55.53 -43.68 75.97 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.279 1.031 . . . . 0.0 111.998 -172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 mm? -66.74 -29.29 69.22 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' B' ' 1' ' ' SER . 50.7 mt-10 -60.19 -58.99 6.17 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 123.475 0.484 . . . . 0.0 110.36 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -24.61 67.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.434 -175.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.16 -55.13 5.7 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.266 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttp -68.72 -34.98 76.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.76 -30.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.1 71.49 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.407 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.22 -34.68 78.57 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 88.7 mt -72.2 -41.65 66.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.079 176.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.568 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 32.7 t70 -65.65 -25.52 67.39 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 122.046 0.927 . . . . 0.0 110.309 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.7 -34.82 72.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.574 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -78.77 -13.33 59.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.146 0.974 . . . . 0.0 109.001 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 24.9 t60 -77.76 -44.5 27.49 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.792 -1.094 . . . . 0.0 108.582 175.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.56 HE21 ' HA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -75.11 -48.23 24.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.95 121.66 35.64 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -143.17 113.75 7.47 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.376 0.608 . . . . 0.0 110.991 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.67 47.8 1.07 Allowed Glycine 0 CA--C 1.495 -1.209 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' B' ' 25' ' ' HIS . 7.8 ptt180 -54.39 -50.68 66.97 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.506 1.122 . . . . 0.0 112.974 -174.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.435 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 2.0 mp0 -92.05 -56.07 3.21 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.005 0.431 . . . . 0.0 111.604 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.96 80.58 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 115.6 1.0 . . . . 0.0 115.6 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.59 32.74 2.46 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.566 0.698 . . . . 0.0 112.183 -173.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 61.88 37.37 15.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.467 1.107 . . . . 0.0 111.44 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.475 ' HA ' ' HA ' ' B' ' 20' ' ' ARG . 32.4 t-80 79.74 -1.26 2.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.272 1.429 . . . . 0.0 113.138 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -124.22 -173.78 2.85 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.961 -0.462 . . . . 0.0 110.258 178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.84 -36.72 14.05 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -170.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 64.38 175.25 0.19 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.881 0.848 . . . . 0.0 110.856 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.54 -19.19 59.49 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.166 174.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 11.7 m -63.54 -36.61 84.35 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.516 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.13 -18.78 33.16 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.32 -1.352 . . . . 0.0 112.126 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.423 ' O ' HD12 ' B' ' 32' ' ' LEU . 2.1 tm? -63.8 -27.8 69.43 Favored 'General case' 0 CA--C 1.563 1.465 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 30' ' ' SER . 4.2 ttmm -55.67 -55.76 28.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.737 1.215 . . . . 0.0 110.487 174.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.3 -28.69 69.49 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.411 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' B' ' 40' ' ' LEU . 29.7 tp -66.09 -57.65 7.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.842 177.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 40' ' ' LEU . 8.3 pt -55.09 -40.09 53.23 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 123.35 0.66 . . . . 0.0 112.636 -177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -75.34 -36.95 60.94 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.938 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -110.29 -77.52 0.59 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -170.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 1' ' ' SER . 11.6 tp10 -83.18 -11.43 57.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -168.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 36' ' ' ILE . 8.0 tt -78.26 -45.89 21.68 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.205 0.526 . . . . 0.0 109.992 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' B' ' 44' ' ' LEU . 69.4 p -132.99 -168.77 2.13 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.065 -168.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -94.35 -57.68 2.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -157.78 -59.42 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.972 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' B' ' 41' ' ' SER 0.268 3.2 mm? 73.41 127.88 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.71 1.604 . . . . 0.0 111.406 -174.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -125.93 -85.1 0.63 Allowed 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -167.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.06 41.23 2.29 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.432 -171.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.92 -53.69 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 122.026 -0.421 . . . . 0.0 111.133 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -172.27 -44.76 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.446 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -49.17 -32.25 9.88 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 126.935 2.094 . . . . 0.0 113.974 173.383 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -47.63 -34.44 7.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.695 1.198 . . . . 0.0 112.699 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.12 -45.46 63.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 79' ' ' MET . 22.0 t -79.37 -30.8 14.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.412 -174.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.592 ' O ' HG12 ' B' ' 56' ' ' VAL . 92.5 t -60.46 -42.43 91.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.959 0.409 . . . . 0.0 110.508 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.27 -40.18 93.58 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.802 0.811 . . . . 0.0 109.517 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -69.28 -32.76 72.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.113 -0.949 . . . . 0.0 113.358 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.686 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.3 p -70.47 -34.08 56.27 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.568 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.6 mmt -68.54 -39.55 81.07 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.72 -56.21 17.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.526 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.3 p -63.48 -38.93 93.01 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.805 0.442 . . . . 0.0 111.668 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.686 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 4.9 tp -50.74 -51.45 50.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.168 0.987 . . . . 0.0 109.658 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.0 -41.67 70.64 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 113.791 -1.55 . . . . 0.0 112.192 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.27 -58.32 6.87 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.95 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.78 -53.68 9.74 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.037 -174.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -85.82 0.07 OUTLIER Glycine 0 C--O 1.26 1.762 0 CA-C-N 115.683 -0.689 . . . . 0.0 113.816 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.33 168.74 10.06 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.394 1.078 . . . . 0.0 109.578 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.89 96.3 2.44 Favored Glycine 0 N--CA 1.402 -3.617 0 N-CA-C 104.945 -3.262 . . . . 0.0 104.945 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.28 101.74 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.46 1.33 . . . . 0.0 111.156 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 t -80.42 119.88 23.7 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.43 -159.85 1.0 Allowed 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.54 -35.49 41.04 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -68.47 -51.58 41.91 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.3 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.477 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 50.8 mt-10 -71.02 -34.35 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.163 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.609 ' O ' HG13 ' B' ' 77' ' ' VAL . 8.4 m-85 -54.38 -53.27 56.23 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.28 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -43.05 99.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.471 0.482 . . . . 0.0 111.377 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.0 71.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.057 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.477 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 32.1 m-85 -68.93 -43.73 74.52 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.609 HG13 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -64.78 -45.36 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.932 0.396 . . . . 0.0 111.982 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.438 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -71.83 -26.59 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.639 -176.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.589 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 23.1 ptt? -81.86 -32.53 31.05 Favored 'General case' 0 C--O 1.205 -1.287 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.262 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.81 -43.65 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.22 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 57.5 m -84.27 -55.74 4.02 Favored 'General case' 0 N--CA 1.423 -1.822 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.366 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.492 ' HA ' ' HG3' ' B' ' 86' ' ' GLU . 17.8 m -83.27 -69.49 0.63 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.788 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' B' ' 79' ' ' MET . . . 58.24 -87.4 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.4 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 m -133.43 119.5 19.69 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 m80 57.17 89.45 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.492 ' HG3' ' HA ' ' B' ' 82' ' ' THR . 75.1 mm-40 -134.93 9.71 3.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 169.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -88.69 12.13 15.67 Favored 'General case' 0 C--O 1.202 -1.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.482 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -94.59 -14.77 24.66 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.302 0.573 . . . . 0.0 109.703 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.29 -71.43 0.44 Allowed 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.665 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -80.25 -55.15 5.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--O 1.242 0.697 0 O-C-N 125.094 1.496 . . . . 0.0 107.343 -168.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.494 ' HA ' ' OE2' ' A' ' 4' ' ' GLU . 35.9 p . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 120.591 0.234 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.92 -45.59 67.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.92 0.39 . . . . 0.0 110.161 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.426 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 3.4 tm? -76.43 -34.14 58.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' OE2' ' HA ' ' A' ' 1' ' ' SER . 43.3 mt-10 -54.02 -41.97 68.61 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 124.069 0.856 . . . . 0.0 109.315 177.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.49 -55.33 9.21 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.589 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.53 66.79 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.4 ttp -67.83 -37.2 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.082 0.468 . . . . 0.0 111.167 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.97 -39.04 76.97 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.007 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.88 88.16 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.55 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.26 4.4 pp -66.72 -31.34 71.94 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.3 pt -84.21 -25.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.52 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.77 -39.05 24.7 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.714 -176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.82 -31.36 53.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.27 -53.65 52.1 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -58.59 -52.76 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.956 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -78.63 -9.06 59.24 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.22 -33.7 61.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.052 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -150.5 90.53 1.65 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.28 -35.34 23.81 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.971 -172.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.489 ' HG3' ' OE2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -64.33 -27.23 68.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.858 0.829 . . . . 0.0 111.162 -175.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.489 ' OE2' ' HG3' ' A' ' 20' ' ' ARG . 1.1 pm0 -97.56 -54.12 3.23 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.68 -45.51 78.07 Favored Glycine 0 C--N 1.314 -0.64 0 O-C-N 124.22 0.95 . . . . 0.0 114.755 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -20.61 66.07 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.455 0.645 . . . . 0.0 111.421 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -99.62 -45.46 5.77 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.871 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -150.36 40.52 0.77 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.887 -173.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HZ1' ' CD ' ' B' ' 91' ' ' GLU . 0.7 OUTLIER 63.44 -170.39 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.366 0.603 . . . . 0.0 110.086 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -115.51 138.27 51.2 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -75.32 155.02 37.02 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.314 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 63.0 mttp -57.63 -25.35 60.01 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -176.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.586 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 1.5 m -63.07 -25.64 68.46 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 122.861 0.464 . . . . 0.0 110.578 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.53 -28.23 26.82 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.865 0.84 . . . . 0.0 109.169 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.2 tm? -64.14 -27.75 69.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.053 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -52.33 -45.86 65.82 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 124.854 1.262 . . . . 0.0 111.816 175.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.8 mt-10 -77.28 -33.5 55.79 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.279 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' HG ' HD13 ' A' ' 40' ' ' LEU . 37.6 tp -66.16 -33.03 74.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 7.6 pt -73.44 -38.34 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 176.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.59 -30.81 70.91 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 123.673 0.608 . . . . 0.0 111.414 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.46 -55.58 2.37 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -173.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -102.82 -50.85 3.43 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.472 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.607 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.7 mp -63.81 -35.36 80.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -125.54 102.21 7.27 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -110.26 20.37 17.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 79.2 m-85 -119.61 -60.13 1.75 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.623 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp 65.2 -59.24 0.27 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.565 1.546 . . . . 0.0 114.811 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.92 -23.73 44.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.371 0.605 . . . . 0.0 111.81 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 21.7 mm-40 -83.2 -168.74 2.21 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.438 HG23 ' HA ' ' A' ' 81' ' ' THR . 3.3 mt 59.68 -144.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -169.98 83.58 0.11 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 53' ' ' VAL . 7.1 pt-20 -146.15 7.36 1.03 Allowed 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.829 -170.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.89 -28.61 69.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -74.78 -50.98 15.33 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.406 HG22 ' SG ' ' A' ' 84' ' ' CYS . 48.1 t -64.25 -39.81 86.83 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.738 -175.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 57' ' ' MET . 74.2 t -57.19 -40.41 73.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 O-C-N 123.423 0.452 . . . . 0.0 111.529 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.74 -43.3 76.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.824 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.03 -36.52 84.25 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.964 0.888 . . . . 0.0 109.952 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.58 -44.75 97.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.91 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.137 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.482 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.5 mmt -63.74 -22.6 66.99 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -76.66 -59.16 2.89 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.781 0.801 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 p -64.75 -41.6 95.79 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.804 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 18.4 tp -59.31 -39.7 83.87 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 123.249 0.62 . . . . 0.0 110.335 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.16 -47.61 56.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.704 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -54.98 14.86 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.005 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.13 -14.54 61.4 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.05 51.93 3.25 Favored Glycine 0 C--N 1.301 -1.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.157 175.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.47 -36.54 26.41 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 120.972 0.415 . . . . 0.0 111.019 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.34 -62.3 0.12 Allowed Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.164 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.42 -179.24 6.29 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.333 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -125.75 122.74 37.11 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' HB3' ' HG3' ' A' ' 72' ' ' GLU . 17.5 t70 -80.78 162.07 24.22 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -60.34 -31.06 69.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.473 0.654 . . . . 0.0 110.484 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.27 -36.9 74.71 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.049 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 55.2 mt-10 -72.2 -26.91 62.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.363 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 77' ' ' VAL . 4.6 t80 -56.08 -58.86 6.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.432 ' HE3' ' HB1' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -62.76 -41.54 99.27 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.014 -179.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.25 -55.09 37.53 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -65.74 -41.63 91.93 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 73' ' ' PHE . 14.9 p -74.48 -40.34 48.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.083 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.432 ' HB1' ' HE3' ' A' ' 74' ' ' MET . . . -72.89 -26.81 61.57 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 121.707 -0.62 . . . . 0.0 111.138 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -79.67 -26.77 40.89 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.053 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.51 -53.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.553 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.438 ' HA ' HG23 ' A' ' 47' ' ' ILE . 55.5 m -82.95 -38.43 22.75 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 m -99.47 -50.12 4.2 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.55 -24.65 57.31 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -173.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 52' ' ' VAL . 65.8 m -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -132.79 -21.4 2.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.091 -0.381 . . . . 0.0 111.013 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 60.8 83.35 0.15 Allowed 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.42 1.088 . . . . 0.0 108.859 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 92.1 m-85 55.57 -102.1 0.14 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.914 -175.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 t80 59.87 -64.39 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.644 1.978 . . . . 0.0 113.034 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.45 -30.81 70.63 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.406 1.083 . . . . 0.0 108.648 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -108.84 -56.75 2.23 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.608 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 7.5 mm-40 . . . . . 0 N--CA 1.476 0.868 0 O-C-N 124.548 1.155 . . . . 0.0 108.331 -173.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 15.2 p . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.42 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 3.4 tm? -75.8 -33.94 60.15 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.94 -39.08 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.894 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 1' ' ' SER . 53.2 mtmt -72.9 -56.49 5.12 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.682 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.28 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.49 -37.99 80.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.406 -176.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.24 -38.24 69.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.727 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.82 90.41 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.799 0.44 . . . . 0.0 111.62 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . 0.262 4.3 pp -67.79 -30.75 70.26 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.0 pt -84.39 -27.09 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 119.34 -0.944 . . . . 0.0 110.583 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -76.64 -42.32 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.37 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.26 -54.39 34.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.11 -52.44 65.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.002 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.9 -9.18 59.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.318 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.414 ' HB3' ' CD ' ' B' ' 21' ' ' GLU . 49.0 m -151.63 93.95 1.93 Allowed 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.2 -10.04 59.98 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.447 ' HG3' ' OE1' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -82.02 -24.45 35.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.878 1.339 . . . . 0.0 109.32 -179.281 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.447 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -102.75 -55.55 2.41 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.249 178.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.54 -44.36 67.67 Favored Glycine 0 N--CA 1.467 0.756 0 O-C-N 124.103 0.877 . . . . 0.0 114.15 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.81 -26.42 68.73 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.463 0.649 . . . . 0.0 111.183 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -96.48 -54.62 3.19 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.01 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -142.02 41.2 1.66 Allowed 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.557 -173.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmpp? 62.95 -172.79 0.16 Allowed 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.399 0.618 . . . . 0.0 110.599 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 90.0 mt -112.99 140.04 48.14 Favored 'General case' 0 CA--C 1.473 -2.013 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -77.84 155.79 30.81 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.547 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.442 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 63.8 mttp -57.44 -25.32 59.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.556 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 9.5 m -64.37 -24.86 67.79 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -84.53 -26.48 28.04 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.011 0.91 . . . . 0.0 108.917 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.441 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.2 tm? -66.42 -27.68 68.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.051 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.556 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.5 OUTLIER -52.87 -46.99 68.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 0.0 111.715 175.316 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.44 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 50.6 mt-10 -73.74 -34.73 64.87 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.737 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.41 ' HG ' HD13 ' B' ' 40' ' ' LEU . 35.3 tp -67.14 -34.93 78.62 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.052 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 8.0 pt -72.41 -38.93 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.46 -25.28 67.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 123.471 0.482 . . . . 0.0 111.984 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.51 -54.42 2.49 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -105.01 -52.88 2.76 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.399 -0.521 . . . . 0.0 112.2 -173.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.9 mp -62.99 -33.59 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.188 -174.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -129.37 96.36 4.27 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 172.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -101.58 9.98 40.69 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.127 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' B' ' 46' ' ' GLU . 64.3 m-85 -110.67 -59.11 2.0 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.333 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp 65.57 -66.5 0.15 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.15 1.38 . . . . 0.0 113.844 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.35 -24.16 62.05 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.149 0.5 . . . . 0.0 111.568 -175.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' B' ' 43' ' ' PHE . 30.9 mm-40 -80.3 -169.38 2.06 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.961 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.445 HG23 ' HA ' ' B' ' 81' ' ' THR . 4.3 mt 61.11 -137.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -174.93 79.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.885 1.274 . . . . 0.0 107.571 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' B' ' 80' ' ' VAL . 7.8 pt-20 -140.18 8.62 2.27 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.663 -171.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -61.54 -33.72 74.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 0.0 111.119 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -47.91 61.13 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.4 -41.11 90.38 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.467 -174.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.6 t -56.82 -40.5 71.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 O-C-N 123.336 0.398 . . . . 0.0 111.507 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.58 -45.65 78.57 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.337 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.515 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 56.0 mtpt -64.83 -33.99 77.3 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.954 0.883 . . . . 0.0 110.056 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.088 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.8 mmt -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.515 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 42.6 mt-10 -74.22 -58.38 3.34 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.644 0.735 . . . . 0.0 109.076 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 p -65.24 -42.1 93.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.887 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' B' ' 29' ' ' LYS . 18.5 tp -60.15 -37.67 80.83 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.372 0.669 . . . . 0.0 110.162 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.17 -53.58 19.32 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.479 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.41 49.87 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.873 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -13.7 61.1 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 121.582 0.706 . . . . 0.0 110.573 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.78 65.34 3.94 Favored Glycine 0 C--N 1.291 -1.952 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.97 -43.14 10.15 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.087 0.47 . . . . 0.0 110.568 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.5 -59.91 0.19 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.195 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -143.71 -178.35 5.86 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -175.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.33 123.09 30.93 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.9 164.81 18.15 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.144 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -59.25 -32.76 70.29 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 122.975 0.51 . . . . 0.0 111.015 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -69.2 -36.89 77.77 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.085 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.4 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 49.4 mt-10 -72.46 -28.43 62.93 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.249 -175.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.456 ' O ' HG12 ' B' ' 77' ' ' VAL . 4.3 t80 -55.18 -58.55 7.21 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -41.67 98.79 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.247 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.31 -57.14 13.04 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.008 0.523 . . . . 0.0 112.255 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.4 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 73.7 m-85 -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' ' 73' ' ' PHE . 13.6 p -73.49 -40.52 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.032 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.42 -27.13 62.15 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -80.08 -26.11 39.75 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 118.353 -1.339 . . . . 0.0 112.237 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 28.2 m -77.19 -51.92 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.17 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.445 ' HA ' HG23 ' B' ' 47' ' ' ILE . 60.7 m -84.24 -35.72 23.22 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -103.84 -46.12 4.58 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -173.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.97 -18.29 56.47 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.58 -29.4 66.93 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -121.82 -14.16 8.14 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.908 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 58.2 78.64 0.24 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.144 0.903 . . . . 0.0 109.153 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.508 ' HB3' ' HA ' ' B' ' 91' ' ' GLU . 88.7 m-85 56.0 -101.71 0.13 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.42 -175.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.1 t80 63.02 -59.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.872 2.069 . . . . 0.0 113.097 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -68.37 -41.52 80.5 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -103.03 -55.78 2.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.232 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 12.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -171.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.423 ' HB3' ' HA ' ' B' ' 39' ' ' GLU . 51.0 m . . . . . 0 CA--C 1.557 1.212 0 CA-C-O 121.502 0.667 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -90.75 -48.16 7.21 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.163 -0.961 . . . . 0.0 110.764 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.4 tm? -63.57 -29.67 70.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' CD ' ' HD1' ' B' ' 42' ' ' HIS . 22.4 tt0 -53.54 -56.35 17.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.08 173.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -63.18 -27.61 69.48 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.461 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' HD22 ' A' ' 10' ' ' LEU . . . -64.41 -48.74 74.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.961 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -60.4 -41.53 94.07 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.687 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.97 -39.85 86.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.212 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.56 88.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.852 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.758 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 3.9 mm? -59.19 -45.07 92.03 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.966 0.412 . . . . 0.0 111.672 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.3 pt -80.63 -32.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.668 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.3 t70 -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.75 0.309 . . . . 0.0 111.761 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.95 -30.32 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.514 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -75.04 -29.9 60.91 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 14.7 t60 -64.98 -38.2 90.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.27 1.028 . . . . 0.0 110.171 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 34.2 mm-40 -55.77 -40.06 72.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.694 0.759 . . . . 0.0 109.827 174.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.28 -161.6 0.85 Allowed 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 140.76 22.48 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.425 -0.797 . . . . 0.0 110.963 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.86 79.93 1.39 Allowed Glycine 0 N--CA 1.428 -1.882 0 N-CA-C 107.953 -2.059 . . . . 0.0 107.953 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' NH1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -52.25 -25.76 10.13 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.549 1.14 . . . . 0.0 112.059 -175.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -67.87 -22.16 65.13 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 126.533 1.933 . . . . 0.0 110.302 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.24 28.87 10.14 Favored Glycine 0 CA--C 1.497 -1.068 0 N-CA-C 108.041 -2.024 . . . . 0.0 108.041 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' B' ' 88' ' ' PHE 0.397 34.7 t70 35.91 64.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -115.9 -30.78 5.97 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 166.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -131.24 36.82 3.78 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.084 173.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 68' ' ' CYS . 26.3 mtmt 40.83 -102.62 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 172.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 92.2 mt -154.3 168.99 24.75 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -95.82 158.74 15.31 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.281 178.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -62.16 -19.63 63.27 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 32.8 t -65.43 -22.51 66.77 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.03 -29.99 43.91 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.52 -27.0 64.1 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.42 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 30' ' ' SER . 1.7 tmmm? -55.89 -49.18 74.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.74 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -69.6 -28.84 66.28 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.236 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.89 -59.55 5.2 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.846 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 pt -60.79 -30.39 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -54.1 -38.28 65.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -116.6 -38.44 3.49 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.581 0.705 . . . . 0.0 112.665 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 68.1 mm-40 -83.92 24.34 0.92 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 77' ' ' VAL . 1.2 tt -138.83 -53.8 0.59 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -176.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -60.18 118.52 6.46 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -145.05 -74.18 0.24 Allowed 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -146.55 83.88 1.61 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.697 0.76 . . . . 0.0 109.353 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -149.91 111.54 4.5 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.77 -18.53 1.63 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -143.34 17.6 1.88 Allowed 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 47' ' ' ILE . 1.9 mp -82.42 -100.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.916 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -115.4 -8.34 12.24 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 123.027 1.394 . . . . 0.0 109.003 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 53' ' ' VAL . 11.5 pt-20 -52.84 -37.36 60.06 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.842 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -53.59 -39.24 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.811 0.444 . . . . 0.0 111.376 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.53 -55.01 4.73 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.835 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.98 -40.06 79.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.221 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -171.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 57' ' ' MET . 71.3 t -52.99 -51.33 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.269 0.486 . . . . 0.0 110.435 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.27 -42.25 84.17 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.244 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.77 -36.58 84.35 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.271 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -62.9 -48.28 88.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 123.564 0.745 . . . . 0.0 109.718 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.8 mmt -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.38 -53.61 10.31 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.5 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 p -64.86 -44.5 89.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -57.57 -45.59 85.01 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.525 0.516 . . . . 0.0 111.214 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.51 -28.41 24.98 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.962 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.74 -44.39 93.66 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.21 -49.13 65.7 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.35 -82.21 0.46 Allowed Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.49 0.956 . . . . 0.0 115.49 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.59 150.37 34.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.39 96.65 0.38 Allowed Glycine 0 N--CA 1.398 -3.878 0 N-CA-C 106.426 -2.67 . . . . 0.0 106.426 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 28' ' ' LYS 0.287 0.0 OUTLIER -56.94 111.1 0.94 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.146 0.974 . . . . 0.0 112.461 179.857 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.592 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 24.5 p -61.32 121.28 12.21 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 114.003 -1.453 . . . . 0.0 113.692 -165.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.96 163.19 14.09 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.417 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -58.75 -26.87 64.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.67 0.747 . . . . 0.0 110.024 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.84 -36.77 85.01 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.237 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 48.9 mt-10 -77.91 -35.3 50.79 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.2 m-85 -54.96 -54.25 45.22 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.755 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.37 -46.08 91.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.011 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -54.68 -58.98 5.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 123.798 0.686 . . . . 0.0 112.257 -177.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 93.6 m-85 -63.97 -43.3 96.16 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.8 p -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.4 66.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.571 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 25.2 ptt? -76.03 -23.58 55.15 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.28 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 40' ' ' LEU . 7.6 p -79.59 -28.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.41 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -78.2 -43.84 27.38 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.838 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.5 p -118.03 -63.75 1.38 Allowed 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.25 -0.281 . . . . 0.0 111.582 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 93.6 -74.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.769 2.028 . . . . 0.0 112.828 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.0 t -110.12 -74.28 0.66 Allowed 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.745 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.428 ' C ' ' H ' ' A' ' 87' ' ' PHE . 71.9 m-70 -142.86 29.03 1.53 Allowed 'General case' 0 CA--C 1.488 -1.425 0 CA-C-O 122.277 1.037 . . . . 0.0 110.481 -176.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -79.64 26.31 0.31 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.998 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 85' ' ' HIS . 90.9 m-85 -71.12 -32.2 68.71 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 174.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' B' ' 23' ' ' ASP . 61.9 m-85 -74.93 84.56 2.23 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.796 0.808 . . . . 0.0 108.905 172.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -176.41 -55.47 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -110.95 -62.17 1.58 Allowed 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.098 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -168.106 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 16.4 m . . . . . 0 C--O 1.254 1.34 0 CA-C-O 120.928 0.394 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -89.89 -46.57 8.46 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 121.831 -0.543 . . . . 0.0 110.414 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.3 tm? -65.14 -30.56 71.49 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -52.83 -56.24 17.21 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.277 174.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -63.75 -25.74 68.33 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.726 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.87 76.16 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -61.69 -41.85 98.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.489 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.97 -40.41 88.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.21 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.94 89.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.023 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.755 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 3.9 mm? -59.45 -43.99 93.07 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.012 0.434 . . . . 0.0 111.606 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 pt -81.11 -33.26 12.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 C-N-CA 120.109 -0.637 . . . . 0.0 111.814 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 24.6 t70 -70.75 -30.97 67.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.503 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.13 -31.25 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.558 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -76.85 -25.21 52.9 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 8.4 t60 -67.96 -38.48 82.81 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.337 1.055 . . . . 0.0 109.603 173.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 33.7 mm-40 -56.75 -45.01 82.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.567 0.699 . . . . 0.0 109.793 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -88.03 -166.5 1.6 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t -143.93 139.52 29.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.595 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.76 75.58 1.66 Allowed Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 172.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -52.2 -26.21 11.07 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.988 1.315 . . . . 0.0 112.099 -174.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.87 -24.1 66.08 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 125.735 1.614 . . . . 0.0 109.58 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.9 31.43 7.73 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.484 ' HB3' ' CE2' ' A' ' 88' ' ' PHE 0.381 34.6 t70 33.58 67.24 0.2 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.42 -32.23 4.41 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 166.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -130.86 38.07 3.73 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.91 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.598 ' HD2' ' O ' ' B' ' 68' ' ' CYS . 23.8 mtmt 39.09 -101.42 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 172.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.502 ' HA ' ' NH1' ' B' ' 20' ' ' ARG . 94.0 mt -155.38 170.03 22.86 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -96.38 158.77 15.28 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 118.226 -1.39 . . . . 0.0 110.517 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.22 -20.95 64.73 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 47.5 t -65.25 -22.99 66.93 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.68 -27.05 37.18 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 109.516 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.47 -25.44 66.04 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.089 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.7 tmmm? -55.93 -49.71 72.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.748 173.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.29 -32.48 74.16 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.655 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -58.09 9.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.278 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 pt -63.06 -26.84 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.338 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -112.89 -54.97 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.025 0.44 . . . . 0.0 110.584 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 55.1 mm-40 -73.45 30.04 0.07 Allowed 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 125.462 1.505 . . . . 0.0 114.85 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.461 ' HG ' HG21 ' B' ' 77' ' ' VAL . 1.1 tt -143.64 -49.7 0.31 Allowed 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.8 m -68.46 120.39 14.45 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.504 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.422 ' HD1' ' CD ' ' A' ' 4' ' ' GLU . 5.4 t-160 -146.49 -68.52 0.27 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 175.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -150.5 88.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.509 1.124 . . . . 0.0 108.873 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.01 110.77 2.39 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.53 -30.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.24 15.36 11.41 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -167.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.41 HD11 ' N ' ' B' ' 47' ' ' ILE 0.304 1.9 mp -85.66 -105.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.534 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.847 -176.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -114.14 -6.73 13.06 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 123.298 1.523 . . . . 0.0 108.682 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 53' ' ' VAL . 10.7 pt-20 -57.08 -35.64 69.62 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 112.398 -2.183 . . . . 0.0 112.909 -177.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -54.37 -37.16 64.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.368 0.604 . . . . 0.0 111.105 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.75 -54.82 4.83 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.09 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.08 -38.84 81.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -171.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' B' ' 57' ' ' MET . 72.8 t -53.06 -50.25 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 118.329 0.513 . . . . 0.0 110.209 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.64 -39.28 77.2 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.514 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -37.6 87.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.166 0.508 . . . . 0.0 109.723 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.83 -49.75 82.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.874 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.6 mmt -60.64 -32.8 71.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.52 -50.88 10.82 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.796 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.1 p -67.0 -43.15 83.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.42 HD13 ' CZ ' ' B' ' 76' ' ' PHE . 37.9 tp -57.26 -46.55 82.96 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 123.521 0.513 . . . . 0.0 111.534 -177.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.15 -29.16 26.9 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.6 -45.14 91.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.86 -45.32 74.88 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 174.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 -82.58 0.19 Allowed Glycine 0 C--O 1.247 0.914 0 N-CA-C 115.449 0.939 . . . . 0.0 115.449 169.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.13 145.72 33.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.62 0.17 Allowed Glycine 0 N--CA 1.402 -3.612 0 N-CA-C 106.458 -2.657 . . . . 0.0 106.458 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' B' ' 28' ' ' LYS 0.295 0.0 OUTLIER -54.64 110.77 0.69 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.366 1.079 . . . . 0.0 112.762 -179.129 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.598 ' O ' ' HD2' ' B' ' 26' ' ' LYS . 22.2 p -62.91 123.98 19.9 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.791 -1.549 . . . . 0.0 114.545 -164.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -95.07 167.4 11.4 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.222 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -59.63 -27.95 66.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.435 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.85 -36.2 82.47 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.962 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.526 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 46.9 mt-10 -79.03 -35.99 41.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.565 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.582 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.2 m-85 -54.9 -54.02 47.93 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.758 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.29 -44.61 96.12 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.166 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -55.8 -59.3 5.07 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 123.554 0.534 . . . . 0.0 112.247 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 91.7 m-85 -62.46 -44.86 95.38 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.582 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.1 p -69.15 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.89 -38.4 61.89 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 24.9 ptt? -75.99 -23.94 55.3 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.043 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.02 -27.49 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.252 176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -81.83 -39.82 23.42 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.22 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.9 p -123.44 -58.89 1.59 Allowed 'General case' 0 C--O 1.213 -0.84 0 O-C-N 122.089 -0.382 . . . . 0.0 112.018 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 85.42 -71.49 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.627 1.571 . . . . 0.0 113.375 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.9 t -110.56 -73.14 0.69 Allowed 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.652 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.43 ' C ' ' H ' ' B' ' 87' ' ' PHE . 66.5 m-70 -144.39 29.55 1.28 Allowed 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.088 0.947 . . . . 0.0 111.066 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -78.84 25.76 0.26 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.037 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.43 ' H ' ' C ' ' B' ' 85' ' ' HIS . 84.8 m-85 -70.89 -32.2 69.09 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 54.0 m-85 -74.48 86.83 2.06 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.951 0.881 . . . . 0.0 108.95 172.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -178.51 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 103.345 -2.835 . . . . 0.0 103.345 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -122.93 -60.73 1.49 Allowed 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.226 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.353 0.723 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -167.273 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -73.07 -53.9 9.9 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.184 0.594 . . . . 0.0 110.567 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -38.99 92.59 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.926 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 37.5 tt0 -50.76 -57.94 7.15 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.969 1.308 . . . . 0.0 110.746 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -53.64 -45.34 70.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.798 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.83 -49.41 72.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.712 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.74 -46.25 91.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.306 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.57 -43.76 98.37 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -35.75 80.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.537 ' O ' HG11 ' A' ' 13' ' ' VAL . 98.2 mt -65.88 -49.89 66.46 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.198 0.523 . . . . 0.0 111.288 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 pt -73.36 -35.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.503 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 31.9 t70 -74.11 -22.69 59.38 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.537 HG11 ' O ' ' A' ' 10' ' ' LEU . 7.3 p -67.18 -44.58 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.547 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -90.99 20.18 5.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.473 1.13 . . . . 0.0 111.955 175.332 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 23.1 t60 -95.07 -40.15 9.78 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -76.11 -47.11 25.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.579 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.453 ' O ' ' HD1' ' A' ' 14' ' ' PHE . 75.0 m-85 -93.15 130.29 38.85 Favored 'General case' 0 C--O 1.198 -1.646 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 t -157.6 177.5 11.33 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.484 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -92.47 -160.5 35.9 Favored Glycine 0 N--CA 1.43 -1.759 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.161 -178.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -35.42 4.19 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.435 -0.383 . . . . 0.0 111.675 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -134.07 -75.43 0.47 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.475 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.27 -36.1 35.79 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.572 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -87.98 1.6 53.76 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.414 0.626 . . . . 0.0 110.734 -175.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -92.27 -28.86 16.72 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -77.72 -60.05 2.53 Favored 'General case' 0 C--O 1.207 -1.16 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 52.8 mtpt -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 171.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.592 ' HG ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mm? -65.4 -25.86 67.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -162.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 70.74 146.08 0.07 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.594 1.158 . . . . 0.0 111.127 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.82 -33.77 73.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.01 0.434 . . . . 0.0 111.863 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -61.49 -34.31 75.26 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.164 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.71 -26.7 25.75 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.315 0.579 . . . . 0.0 110.389 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.3 tm? -64.0 -22.21 66.83 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -55.95 -58.28 8.56 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.373 1.069 . . . . 0.0 109.74 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -53.51 -40.04 65.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.421 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.09 -54.27 43.69 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.859 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.3 pt -68.57 -34.47 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.48 -48.3 70.31 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.834 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -107.18 -33.46 7.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -103.02 -7.48 21.37 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -170.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 5.4 tt -65.56 -64.07 0.95 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t 178.59 152.28 0.32 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -105.97 -17.15 14.43 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.494 -0.883 . . . . 0.0 110.949 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -101.95 99.64 9.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.059 0.933 . . . . 0.0 110.868 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.3 mm? -108.49 107.13 17.53 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -121.16 -72.63 0.68 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.822 0.82 . . . . 0.0 112.283 -173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.72 17.52 4.68 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.435 -172.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.427 ' HB ' ' OE2' ' A' ' 49' ' ' GLU . 2.6 pt -123.94 -169.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.427 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -101.55 -77.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.668 ' OE2' ' HA ' ' A' ' 81' ' ' THR . 8.1 mp0 56.32 -55.26 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 127.264 2.226 . . . . 0.0 116.706 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -50.15 -37.57 35.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -169.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -76.66 -49.69 15.53 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.807 0.813 . . . . 0.0 109.849 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.2 t -72.27 -40.58 65.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.709 -171.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' ' 57' ' ' MET . 57.2 t -55.28 -42.19 65.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 123.145 0.578 . . . . 0.0 111.216 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.92 -43.45 88.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.35 -36.97 85.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.717 0.77 . . . . 0.0 109.747 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 4.2 t -63.03 -46.59 95.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.533 0 C-N-CA 124.535 1.134 . . . . 0.0 110.922 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 0.0 110.768 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.15 -60.35 2.69 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 p -61.93 -40.21 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.4 tp -52.09 -46.78 65.36 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.552 0.741 . . . . 0.0 110.556 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -42.26 20.78 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.826 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -61.55 -36.29 80.17 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.944 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.82 -46.18 89.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.841 0.353 . . . . 0.0 110.162 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.33 -99.24 1.09 Allowed Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.035 -1.078 . . . . 0.0 114.225 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.5 -71.61 0.42 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.17 0.51 . . . . 0.0 109.809 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.91 62.77 5.93 Favored Glycine 0 N--CA 1.415 -2.74 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.46 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -53.62 99.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.929 0.871 . . . . 0.0 111.442 173.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.663 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 48.3 t -62.71 129.08 38.91 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.35 -165.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.447 ' CG ' ' HZ3' ' A' ' 26' ' ' LYS . 13.7 m-20 -109.12 167.06 10.38 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.614 173.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 73' ' ' PHE . 22.4 p90 -54.55 -29.44 50.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.218 1.007 . . . . 0.0 111.73 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.26 -39.4 94.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.856 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.663 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 44.1 mt-10 -72.43 -33.01 66.78 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 70' ' ' PHE . 24.1 m-85 -53.91 -56.45 17.67 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.46 ' SD ' ' HB2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.45 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.52 -56.73 18.39 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.465 -177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -63.81 -45.28 90.32 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.522 HG11 ' O ' ' A' ' 73' ' ' PHE . 9.6 p -68.92 -43.21 82.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.12 67.97 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.816 -0.552 . . . . 0.0 111.98 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 26.0 ptt? -82.62 -24.02 34.03 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.305 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -77.85 -43.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.774 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.668 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 85.5 m -79.79 -44.47 20.57 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.545 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -109.23 -82.55 0.56 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.139 -0.624 . . . . 0.0 112.285 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.46 -168.04 0.06 Allowed 'General case' 0 C--O 1.258 1.547 0 C-N-CA 123.918 0.887 . . . . 0.0 112.483 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.3 m 66.17 -63.85 0.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.983 1.713 . . . . 0.0 114.87 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -132.98 -1.41 3.31 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 122.069 -0.394 . . . . 0.0 110.87 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 -98.62 0.05 OUTLIER 'General case' 0 C--O 1.254 1.329 0 C-N-CA 124.835 1.254 . . . . 0.0 113.479 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -89.47 85.09 6.45 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 160.39 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 104.283 -2.488 . . . . 0.0 104.283 -175.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.12 -57.13 3.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.021 -1.445 . . . . 0.0 107.343 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -106.34 -61.57 1.5 Allowed 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 173.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 -168.53 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 120.562 0.22 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -73.84 -52.45 12.99 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.505 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.49 -41.29 98.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.016 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 37.7 tt0 -48.22 -57.9 5.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.423 1.489 . . . . 0.0 110.735 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -53.68 -45.75 70.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.908 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -47.98 76.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.498 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.19 -45.85 92.9 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.619 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.55 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.05 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.85 79.24 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.509 ' O ' HG11 ' B' ' 13' ' ' VAL . 98.6 mt -65.31 -49.7 68.47 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.071 0.462 . . . . 0.0 111.311 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 pt -73.25 -34.06 43.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 33.6 t70 -70.66 -29.23 65.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.509 HG11 ' O ' ' B' ' 10' ' ' LEU . 7.3 p -66.42 -44.72 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.191 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.611 ' CG ' ' HG ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -90.85 18.56 6.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.435 1.112 . . . . 0.0 112.109 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 20.8 t60 -93.61 -39.96 10.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 168.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.83 -44.68 20.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.151 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.491 ' O ' ' HD1' ' B' ' 14' ' ' PHE . 81.6 m-85 -91.72 126.59 36.85 Favored 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 t -159.4 164.52 34.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' B' ' 23' ' ' ASP . . . -84.1 -167.05 41.76 Favored Glycine 0 CA--C 1.487 -1.683 0 CA-C-O 121.719 0.621 . . . . 0.0 113.712 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.22 -34.82 6.05 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.82 -0.69 . . . . 0.0 111.271 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.81 -80.39 0.44 Allowed 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.74 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.77 59.69 Favored Glycine 0 CA--C 1.493 -1.312 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.53 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.525 ' CG ' ' HA3' ' B' ' 19' ' ' GLY . 17.3 p-10 -91.76 1.29 57.26 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.052 0.941 . . . . 0.0 109.414 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -91.65 -35.7 14.06 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -71.81 -55.53 7.41 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 54.2 mtpt -136.1 139.14 42.75 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.611 ' HG ' ' CG ' ' B' ' 14' ' ' PHE . 2.7 mm? -66.12 -26.07 67.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -163.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 71.93 148.91 0.09 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.634 1.174 . . . . 0.0 111.291 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -62.98 -34.71 78.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -64.64 -29.85 70.86 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.014 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 35.1 mm-40 -86.14 -26.82 24.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.703 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.489 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -64.37 -22.78 67.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.32 -59.67 4.47 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 124.442 1.097 . . . . 0.0 109.404 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -54.66 -34.02 61.6 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.353 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -66.74 -55.64 14.09 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.253 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.489 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.0 pt -68.41 -33.58 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -66.9 -37.34 84.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.647 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.73 -37.84 3.07 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -97.22 -6.01 35.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 5.3 tt -67.11 -64.7 0.8 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t 177.16 152.97 0.22 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -104.44 -19.2 14.12 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.953 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -98.53 100.43 11.68 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 122.038 0.923 . . . . 0.0 110.936 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.43 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.2 mm? -109.32 105.08 14.32 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.06 -65.9 1.13 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -173.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.866 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.519 ' HB ' ' OE2' ' B' ' 49' ' ' GLU . 2.1 pt -117.23 -172.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -98.55 -78.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.654 ' OE2' ' HA ' ' B' ' 81' ' ' THR . 7.5 mp0 55.83 -53.88 0.02 OUTLIER 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 127.278 2.231 . . . . 0.0 116.348 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -47.82 -37.54 13.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.908 1.283 . . . . 0.0 113.755 -171.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.24 -49.68 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.563 0.697 . . . . 0.0 110.762 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -72.52 -40.61 63.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.487 -171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' B' ' 57' ' ' MET . 78.2 t -55.73 -39.62 56.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 122.913 0.485 . . . . 0.0 111.055 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.91 -42.45 85.4 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.937 0.399 . . . . 0.0 110.705 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.6 -35.41 78.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.686 0.755 . . . . 0.0 109.563 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 4.0 t -63.86 -45.7 96.32 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 C-N-CA 124.616 1.166 . . . . 0.0 110.754 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.603 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.22 -36.05 82.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.945 0.402 . . . . 0.0 110.272 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.54 -58.46 7.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.4 p -63.24 -41.99 99.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.1 tp -52.58 -45.78 66.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.636 0.774 . . . . 0.0 110.4 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -80.25 -42.54 22.99 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.095 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.23 -38.99 93.34 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.721 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.73 -45.76 92.55 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.573 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.4 -114.69 4.35 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.273 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.71 -69.0 0.21 Allowed 'General case' 0 C--O 1.248 0.982 0 C-N-CA 123.349 0.659 . . . . 0.0 110.204 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.13 57.13 17.94 Favored Glycine 0 N--CA 1.422 -2.252 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.537 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -46.61 100.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.506 0.669 . . . . 0.0 110.825 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.617 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 45.3 t -66.0 127.43 32.05 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.334 -1.303 . . . . 0.0 113.881 -167.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -109.48 167.83 9.84 Favored 'General case' 0 CA--C 1.487 -1.468 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.312 173.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.535 ' HA ' ' CD1' ' B' ' 73' ' ' PHE . 25.5 p90 -53.35 -30.26 38.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.47 1.108 . . . . 0.0 112.335 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.39 -39.58 92.41 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.739 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.617 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 42.7 mt-10 -70.32 -33.42 71.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.092 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' B' ' 70' ' ' PHE . 25.4 m-85 -54.05 -56.74 15.14 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.448 ' SD ' ' HB2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.34 -44.07 97.8 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.453 -178.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.65 -57.29 13.64 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.355 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -62.46 -45.79 91.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.511 HG11 ' O ' ' B' ' 73' ' ' PHE . 9.7 p -68.68 -43.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.93 67.41 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.831 -0.543 . . . . 0.0 112.014 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 26.5 ptt? -81.9 -26.32 34.22 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.334 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.25 -44.82 36.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 118.602 -1.239 . . . . 0.0 110.536 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.654 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . 90.2 m -78.31 -43.95 26.58 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.594 -176.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.6 m -110.69 -82.62 0.57 Allowed 'General case' 0 N--CA 1.436 -1.17 0 O-C-N 121.619 -0.676 . . . . 0.0 112.538 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.37 -168.0 0.06 Allowed 'General case' 0 C--O 1.256 1.442 0 C-N-CA 123.822 0.849 . . . . 0.0 112.527 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m 67.08 -70.38 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.263 1.425 . . . . 0.0 114.1 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -127.61 0.07 6.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.394 -0.191 . . . . 0.0 111.258 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 48.07 -98.22 0.04 OUTLIER 'General case' 0 C--O 1.257 1.488 0 C-N-CA 124.691 1.197 . . . . 0.0 113.708 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -89.8 77.24 7.07 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 122.017 0.913 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.1 t80 168.46 -34.33 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.98 -52.46 8.78 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 113.792 -1.549 . . . . 0.0 107.85 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -111.48 -59.31 2.0 Allowed 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -167.548 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.82 0.343 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.69 -38.26 88.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.1 tm? -76.05 -38.55 57.02 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.241 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 50.0 tt0 -60.57 -36.87 79.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.757 0.789 . . . . 0.0 109.786 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.12 -53.01 51.9 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.668 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.01 92.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.678 -1.147 . . . . 0.0 113.056 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.416 ' HG3' HG23 ' B' ' 77' ' ' VAL . 14.9 tmm? -56.6 -45.73 81.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.2 -34.71 70.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.344 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.04 -52.71 58.15 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.416 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 4.5 mm? -51.66 -49.49 62.23 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.164 0.507 . . . . 0.0 111.701 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.419 HD11 ' CE1' ' B' ' 90' ' ' HIS . 36.6 pt -74.55 -48.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 13.9 t70 -72.71 -30.15 63.97 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.74 -41.51 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.49 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.77 -12.64 58.47 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.968 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.22 -42.01 76.27 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 169.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 74.3 mt-30 -70.43 -3.19 16.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.504 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.442 ' CZ ' ' HA3' ' A' ' 19' ' ' GLY . 23.8 t80 -54.17 -58.42 7.43 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.489 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 p 40.61 77.52 0.05 Allowed 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.274 1.03 . . . . 0.0 113.077 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 17' ' ' TYR . . . -113.99 138.23 14.72 Favored Glycine 0 N--CA 1.424 -2.138 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.022 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -23.22 65.2 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 123.24 0.616 . . . . 0.0 112.338 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.94 -63.85 1.09 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.598 174.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.37 29.4 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.869 -0.605 . . . . 0.0 113.51 -174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.85 -16.05 63.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 122.007 -0.702 . . . . 0.0 111.737 -174.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -98.43 -1.11 42.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.777 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -126.74 -81.38 0.61 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.648 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HE3' ' OE1' ' B' ' 86' ' ' GLU . 0.0 OUTLIER -151.04 149.33 29.42 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 100.811 -3.774 . . . . 0.0 100.811 176.329 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.47 -36.24 63.91 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 74.5 mmtt 64.04 116.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.984 1.314 . . . . 0.0 112.992 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HD2' ' O ' ' A' ' 67' ' ' GLU 0.295 0.0 OUTLIER -68.14 -18.93 64.76 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.683 -0.636 . . . . 0.0 111.619 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.9 m -62.62 -23.53 67.11 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.215 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -85.47 -22.62 28.16 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.745 0.783 . . . . 0.0 109.815 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 3.3 tm? -63.24 -21.2 66.08 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.57 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -53.45 -52.04 60.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.855 0.836 . . . . 0.0 110.988 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.43 -22.85 65.5 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.285 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' C ' HD11 ' A' ' 35' ' ' LEU . 3.1 tm? -72.27 -51.15 22.16 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' CG2' HD12 ' A' ' 40' ' ' LEU . 12.4 pt -65.25 -33.24 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.8 -30.27 71.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.368 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -99.67 -62.42 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 24.4 mm-40 -80.52 -32.92 36.73 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -172.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HG ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -74.3 -61.28 1.91 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 -173.014 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 p -90.16 92.4 8.94 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -165.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.484 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 31.7 m80 -126.44 -71.46 0.69 Allowed 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.36 -11.63 27.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.7 mm? -81.33 110.73 17.05 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -114.95 -73.69 0.64 Allowed 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -135.49 73.31 1.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -107.14 -49.84 8.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -150.77 -32.06 0.17 Allowed 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.08 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' OE1' ' HB3' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -58.07 -29.83 65.72 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.499 ' OE1' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -59.76 -27.02 66.15 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' HG3' ' OE1' ' A' ' 50' ' ' GLN . 43.0 mt-10 -81.41 -59.01 2.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.641 1.21 . . . . 0.0 109.49 170.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.02 -25.36 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.852 -165.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' ' 56' ' ' VAL . 55.3 t -57.59 -42.85 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 119.122 0.873 . . . . 0.0 111.743 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.66 -40.97 92.99 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.805 0.812 . . . . 0.0 109.81 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -71.42 -30.73 66.42 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.699 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 53' ' ' VAL . 2.1 p -70.76 -34.59 57.04 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.0 mmt -66.58 -29.63 69.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.244 0.545 . . . . 0.0 109.965 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.7 -61.51 1.85 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.874 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 p -58.15 -40.88 82.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 15.8 tp -54.87 -48.34 73.09 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.073 0.949 . . . . 0.0 110.461 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.7 -33.08 21.61 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.638 -176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.42 -42.05 92.93 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.8 -39.8 95.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.06 -103.91 0.94 Allowed Glycine 0 C--O 1.242 0.625 0 CA-C-N 114.79 -1.095 . . . . 0.0 115.081 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -86.19 106.38 17.25 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-O 121.083 0.468 . . . . 0.0 110.447 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.29 27.78 0.13 Allowed Glycine 0 C--N 1.297 -1.638 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.576 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 2.3 mp0 56.72 -179.2 0.05 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.288 1.035 . . . . 0.0 113.276 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.502 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 43.7 t -134.09 101.95 5.22 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.152 170.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 167.53 9.87 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.669 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' B' ' 84' ' ' CYS . 4.4 p90 -57.71 -26.55 61.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.754 0.822 . . . . 0.0 111.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.84 -40.8 95.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -78.79 -32.57 46.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.477 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' O ' HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -52.84 -54.28 36.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.647 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.6 OUTLIER -62.15 -47.03 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.495 0.497 . . . . 0.0 111.154 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.58 29.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -62.65 -47.19 84.81 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 73' ' ' PHE . 7.5 p -68.41 -41.06 83.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.024 0.44 . . . . 0.0 112.169 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.75 47.85 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.974 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -78.33 -23.09 47.19 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 118.292 -1.363 . . . . 0.0 111.771 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.404 HG23 HD13 ' A' ' 40' ' ' LEU . 27.0 m -75.31 -51.62 20.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.149 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.477 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.5 m -83.73 -39.48 20.05 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.55 HG22 ' SG ' ' A' ' 84' ' ' CYS . 11.9 m -98.71 -49.79 4.47 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.638 -0.664 . . . . 0.0 111.414 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.07 86.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.022 1.329 . . . . 0.0 113.369 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.55 ' SG ' HG22 ' A' ' 82' ' ' THR . 58.7 m -144.43 154.33 42.84 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -112.0 0.24 15.94 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 167.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.592 ' OE1' ' HE3' ' B' ' 26' ' ' LYS . 31.0 tt0 169.15 85.97 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.904 0 C-N-CA 128.258 2.623 . . . . 0.0 107.491 170.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 97.1 m-85 41.92 72.67 0.16 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 124.505 1.128 . . . . 0.0 112.523 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -111.35 -75.13 0.62 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.65 -169.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.21 10.84 11.26 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -147.11 -46.82 0.18 Allowed 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.526 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 37.7 tt0 . . . . . 0 N--CA 1.434 -1.265 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 -170.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -39.01 66.65 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.1 tm? -74.45 -39.66 62.41 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.031 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.484 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 46.7 tt0 -57.69 -42.73 84.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.412 0.625 . . . . 0.0 109.396 177.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.15 -50.06 74.71 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.037 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.42 94.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.421 ' HG3' HG23 ' A' ' 77' ' ' VAL . 14.8 tmm? -57.54 -45.57 84.9 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.132 0.491 . . . . 0.0 110.01 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -36.22 75.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.047 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -52.9 61.25 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.477 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.647 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 4.5 mm? -51.91 -50.34 61.26 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.002 0.43 . . . . 0.0 111.812 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 36.4 pt -73.97 -46.48 45.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 26.9 t70 -71.95 -31.74 66.61 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.98 -41.12 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.647 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -15.51 55.09 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 117.429 -1.709 . . . . 0.0 110.84 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 10.5 t60 -66.54 -40.18 88.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 75.9 mt-30 -72.23 -7.16 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.228 176.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.476 ' CZ ' ' HA3' ' B' ' 19' ' ' GLY . 23.7 t80 -51.12 -60.89 2.62 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 117.858 0.299 . . . . 0.0 110.502 175.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.5 p 45.71 72.45 0.22 Allowed 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.99 0.916 . . . . 0.0 112.643 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' B' ' 17' ' ' TYR . . . -105.69 141.09 15.33 Favored Glycine 0 N--CA 1.421 -2.346 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.929 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -63.55 -24.09 67.66 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.705 0.297 . . . . 0.0 111.572 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -96.01 -65.48 0.97 Allowed 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.448 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.63 -54.49 36.67 Favored Glycine 0 C--O 1.21 -1.355 0 O-C-N 123.539 0.524 . . . . 0.0 113.893 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.13 -22.26 66.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 122.102 -0.646 . . . . 0.0 111.578 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -96.15 2.02 52.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.83 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -129.55 -83.69 0.56 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.429 0.633 . . . . 0.0 110.462 177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.592 ' HE3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -150.01 147.84 28.33 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 177.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 4.5 mm? -53.18 -36.33 60.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -173.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 74.1 mmtt 61.65 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.937 1.295 . . . . 0.0 112.897 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.612 ' HD2' ' O ' ' B' ' 67' ' ' GLU 0.291 0.0 OUTLIER -64.29 -19.27 65.3 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.665 -0.647 . . . . 0.0 112.48 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -62.69 -23.74 67.29 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 121.979 -0.451 . . . . 0.0 110.311 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.27 -22.19 28.7 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.591 0.71 . . . . 0.0 109.681 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.3 tm? -62.04 -20.89 64.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.111 0.964 . . . . 0.0 108.746 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -53.22 -51.84 60.84 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.132 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.29 -26.24 67.98 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.034 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.72 -52.58 24.22 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.414 ' CG2' HD12 ' B' ' 40' ' ' LEU . 13.1 pt -65.21 -34.05 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -56.58 -36.53 69.47 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.054 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -95.85 -70.38 0.72 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 32.0 mm-40 -71.02 -37.18 72.62 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -170.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.477 ' HG ' HG22 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.1 -60.91 1.97 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.703 0.763 . . . . 0.0 110.989 -171.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -92.45 91.82 7.8 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.418 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 35.8 m80 -124.96 -69.15 0.81 Allowed 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -95.93 -12.42 25.11 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.425 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.7 mm? -81.31 112.71 18.86 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 171.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.54 -73.28 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -171.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -135.57 80.68 1.85 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.9 mt -114.36 -52.8 4.98 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -149.66 -30.03 0.24 Allowed 'General case' 0 C--O 1.245 0.821 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.019 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.425 ' OE1' ' HB3' ' B' ' 44' ' ' LEU . 0.8 OUTLIER -60.07 -29.77 68.78 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.061 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . 0.252 0.0 OUTLIER -61.4 -27.0 68.22 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.914 -0.714 . . . . 0.0 112.438 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.77 -55.93 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.289 1.042 . . . . 0.0 109.64 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 t -73.59 -25.12 20.55 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -166.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 56' ' ' VAL . 54.7 t -57.51 -42.7 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 119.057 0.844 . . . . 0.0 112.088 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.8 -35.44 78.65 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -74.34 -30.46 62.04 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.549 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.643 HG13 ' O ' ' B' ' 53' ' ' VAL . 2.6 p -69.43 -34.57 62.82 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.866 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -67.83 -29.9 69.17 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.256 0.55 . . . . 0.0 109.945 178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.94 -61.32 1.85 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.184 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -58.39 -41.33 84.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 15.3 tp -55.19 -42.77 73.67 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 124.213 1.005 . . . . 0.0 110.708 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -89.0 -36.38 15.86 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.731 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.58 -40.88 96.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.249 0.62 . . . . 0.0 110.713 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.1 -43.53 91.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 -106.68 1.9 Allowed Glycine 0 CA--C 1.505 -0.547 0 CA-C-N 114.936 -1.029 . . . . 0.0 114.785 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.91 105.14 17.24 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.437 0.637 . . . . 0.0 110.508 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.59 29.04 0.2 Allowed Glycine 0 C--N 1.296 -1.669 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.612 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 2.1 mp0 56.81 177.78 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.723 1.209 . . . . 0.0 113.62 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.567 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 47.3 t -132.28 101.6 5.43 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.038 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -109.44 168.0 9.72 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 84' ' ' CYS . 4.5 p90 -57.29 -26.78 61.4 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.693 0.797 . . . . 0.0 112.147 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -64.83 -40.66 95.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.75 -32.95 46.87 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.443 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.671 ' O ' HG11 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.7 -54.68 30.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.455 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.541 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.26 -47.43 86.07 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.556 0.535 . . . . 0.0 111.289 176.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.25 -54.43 43.55 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -63.76 -47.34 81.39 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.671 HG11 ' O ' ' B' ' 73' ' ' PHE . 7.6 p -68.15 -41.06 83.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.15 47.99 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.076 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -77.64 -23.41 49.74 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 117.875 -1.53 . . . . 0.0 111.583 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -75.45 -51.58 20.62 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.488 0 C-N-CA 118.641 -1.224 . . . . 0.0 111.638 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.25 -37.59 21.56 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.556 HG22 ' SG ' ' B' ' 84' ' ' CYS . 10.8 m -99.33 -50.99 3.93 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.653 -0.654 . . . . 0.0 111.356 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.65 88.78 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.904 1.282 . . . . 0.0 113.342 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.556 ' SG ' HG22 ' B' ' 82' ' ' THR . 57.2 m -148.3 152.54 37.27 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.129 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -110.46 -1.84 16.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 166.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.541 ' OE1' ' HE3' ' A' ' 26' ' ' LYS . 30.3 tt0 172.47 85.66 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 128.284 2.634 . . . . 0.0 107.551 171.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' B' ' 91' ' ' GLU . 95.9 m-85 42.73 71.19 0.24 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 124.319 1.012 . . . . 0.0 112.586 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.406 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 50.0 t80 -108.03 -74.56 0.65 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.919 -170.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.406 ' HG3' ' CD2' ' B' ' 88' ' ' PHE . 41.9 mt-10 -86.59 6.49 30.58 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -175.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.419 ' CE1' HD11 ' A' ' 11' ' ' ILE . 40.3 t-80 -138.83 -47.4 0.49 Allowed 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.748 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.525 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 35.5 tt0 . . . . . 0 N--CA 1.438 -1.04 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 -169.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.403 ' HB3' ' OE2' ' B' ' 39' ' ' GLU . 4.7 m . . . . . 0 N--CA 1.438 -1.06 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 2.5 tp10 -68.66 -37.25 79.49 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.158 0.504 . . . . 0.0 110.13 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' HD11 ' A' ' 3' ' ' LEU . 2.3 tm? -73.51 -34.62 65.36 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.128 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 8' ' ' VAL . 54.4 mt-10 -56.32 -40.27 74.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.888 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 46.1 pttt -71.61 -25.16 62.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.944 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.75 85.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -65.18 -40.2 93.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.649 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 4' ' ' GLU . 95.8 t -60.36 -43.87 94.74 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.672 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.058 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.81 77.58 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.971 0.508 . . . . 0.0 111.642 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' SD ' ' B' ' 74' ' ' MET . 34.3 mt -60.22 -42.74 95.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.411 0.684 . . . . 0.0 111.212 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.4 pt -82.37 -24.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 120.625 -1.297 . . . . 0.0 112.074 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.551 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 11.2 t70 -79.67 -50.88 9.97 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.58 -35.77 65.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.856 0.36 . . . . 0.0 110.089 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.438 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -62.62 -46.53 87.83 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.551 175.137 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 12' ' ' ASP . 2.0 p-80 -65.02 -27.41 68.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 119.621 -0.832 . . . . 0.0 113.065 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.2 mt-30 -65.91 -43.33 88.46 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.032 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.65 -26.22 15.28 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -72.52 151.5 42.43 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -72.7 93.12 0.63 Allowed Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -54.33 -35.5 62.76 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 37.5 tt0 -95.2 -75.95 0.51 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -35.32 74.78 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.563 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' OD1' ' HA3' ' A' ' 19' ' ' GLY . 5.5 m-20 -91.74 14.17 16.08 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.976 0.417 . . . . 0.0 112.064 -173.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 60.99 27.29 17.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.573 0.749 . . . . 0.0 112.666 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.493 ' CD2' ' HB3' ' B' ' 87' ' ' PHE . 3.3 t-160 72.67 14.19 5.12 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.568 0.747 . . . . 0.0 111.193 173.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.83 154.73 24.68 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 120.895 -1.128 . . . . 0.0 111.037 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -71.64 -39.12 70.58 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -166.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 72.6 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.365 1.066 . . . . 0.0 109.705 -169.61 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.603 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.1 mtpt -68.94 -30.39 68.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.935 -174.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -63.84 -32.36 73.85 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.029 0.443 . . . . 0.0 110.085 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.43 -18.62 33.09 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.46 -24.54 67.5 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.831 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB2' HD23 ' A' ' 60' ' ' LEU . 4.6 tmmm? -55.68 -54.32 45.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.939 175.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 -33.14 75.32 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.048 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 40' ' ' LEU . 33.9 tp -69.99 -42.67 72.78 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.322 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 10.1 pt -65.05 -42.32 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -62.19 -22.82 66.21 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.066 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -99.39 -68.72 0.79 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -101.37 -21.13 14.91 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -165.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.2 mp -99.87 -22.78 15.17 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.336 -175.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.7 m -143.49 89.85 2.11 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.397 0.617 . . . . 0.0 110.48 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -115.0 -39.4 3.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.404 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -90.17 -3.52 57.82 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.06 92.37 5.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.747 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.05 -18.95 15.37 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.063 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 11.6 pt-20 -147.88 -153.02 0.47 Allowed 'General case' 0 N--CA 1.416 -2.151 0 C-N-CA 124.074 0.949 . . . . 0.0 108.914 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 HG22 ' HG2' ' A' ' 48' ' ' LYS . 67.3 mt 92.36 -87.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.45 1.5 . . . . 0.0 111.603 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 82' ' ' THR . 29.8 mmmt -137.5 6.35 2.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.471 0.653 . . . . 0.0 111.674 -176.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -62.18 -47.67 83.46 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -173.288 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -59.46 -32.13 69.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.306 0.503 . . . . 0.0 111.963 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.62 -56.26 4.12 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.657 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.02 -45.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.54 ' O ' ' HG2' ' A' ' 57' ' ' MET . 79.3 t -57.25 -40.5 74.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 C-N-CA 122.46 0.304 . . . . 0.0 111.593 -176.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.92 -41.31 87.29 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.017 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.41 -34.59 78.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.796 0.808 . . . . 0.0 110.03 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.02 -46.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 124.348 1.059 . . . . 0.0 110.368 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.8 mmt -67.03 -27.56 67.51 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.557 0.694 . . . . 0.0 110.374 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.25 -59.4 3.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.944 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 14.0 p -64.01 -40.75 97.03 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 6.8 mp -56.6 -29.92 62.66 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -101.08 -46.32 5.11 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.255 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.35 -51.82 22.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.153 -176.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 59' ' ' THR . 15.5 t70 -73.12 -64.19 1.02 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.43 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.08 -49.57 2.57 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 113.022 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 69.1 -50.66 0.6 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.614 2.366 . . . . 0.0 112.564 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.98 -24.99 5.61 Favored Glycine 0 C--N 1.299 -1.501 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.68 -178.62 6.55 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.612 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 12.1 t -143.45 135.11 26.39 Favored 'General case' 0 CA--C 1.481 -1.709 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 173.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -108.7 167.74 9.84 Favored 'General case' 0 C--N 1.282 -2.357 0 O-C-N 124.001 0.813 . . . . 0.0 109.517 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' B' ' 78' ' ' ALA . 12.9 p90 -64.87 -24.03 67.41 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.147 0.499 . . . . 0.0 110.243 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.05 -38.75 92.19 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.685 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.612 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 52.4 mt-10 -79.28 -31.79 43.43 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -53.7 -46.66 70.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 175.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.496 ' SD ' HD12 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.79 -53.94 33.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.457 174.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -50.79 -51.68 48.35 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 123.923 0.764 . . . . 0.0 112.972 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.487 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 71.0 m-85 -66.93 -44.86 79.58 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.4 ' HB ' HD22 ' A' ' 40' ' ' LEU . 10.9 p -70.06 -33.15 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.015 0.436 . . . . 0.0 111.102 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' B' ' 70' ' ' PHE . . . -75.22 -32.0 61.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.458 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 75' ' ' ALA 0.256 25.6 ptt? -84.79 -30.0 24.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.345 -1.342 . . . . 0.0 113.23 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.5 m -71.06 -39.22 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 ' CE ' ' B' ' 7' ' ' MET . 13.6 m -85.24 -25.13 27.48 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.069 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.552 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 61.9 m -136.78 -101.17 0.2 Allowed 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 121.705 -0.622 . . . . 0.0 112.462 -177.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 51.61 176.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.93 0.892 . . . . 0.0 112.675 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.6 m 64.84 -50.9 0.33 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.811 1.645 . . . . 0.0 115.101 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 28.7 m80 -129.64 72.93 1.49 Allowed 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.06 122.65 17.07 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.597 -175.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.508 ' HB3' ' CD2' ' B' ' 25' ' ' HIS . 87.7 m-85 72.28 -2.13 2.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.626 1.17 . . . . 0.0 112.512 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -107.05 -32.99 7.61 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.833 0.349 . . . . 0.0 110.181 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 85' ' ' HIS . 9.0 tp10 -67.31 -31.62 72.04 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.967 0.889 . . . . 0.0 108.795 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -115.86 -88.0 0.59 Allowed 'General case' 0 N--CA 1.422 -1.825 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 87' ' ' PHE . 10.5 pt-20 . . . . . 0 C--O 1.259 1.582 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.243 0.718 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.3 tp10 -74.61 -35.39 62.94 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.318 0.58 . . . . 0.0 109.929 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.42 HD11 ' O ' ' B' ' 3' ' ' LEU . 2.4 tm? -75.36 -33.95 61.12 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.477 ' O ' HG22 ' B' ' 8' ' ' VAL . 52.7 mt-10 -56.64 -40.26 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 46.7 pttt -71.7 -25.72 62.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.757 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.89 87.73 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.406 ' CE ' HG23 ' A' ' 81' ' ' THR . 10.2 tmm? -65.18 -39.92 93.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.596 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.477 HG22 ' O ' ' B' ' 4' ' ' GLU . 95.8 t -61.23 -42.73 94.56 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.736 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.084 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.67 82.04 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.842 0.457 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.496 HD12 ' SD ' ' A' ' 74' ' ' MET . 35.1 mt -60.57 -43.41 97.34 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.489 0.716 . . . . 0.0 110.865 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 pt -81.15 -24.43 10.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 O-C-N 120.608 -1.308 . . . . 0.0 111.877 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.634 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 25.6 t70 -77.27 -52.28 9.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.87 -35.68 66.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-O 120.959 0.409 . . . . 0.0 110.276 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.431 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -62.56 -48.52 79.13 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.813 175.059 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.634 ' CE1' ' HA ' ' B' ' 12' ' ' ASP . 2.2 p-80 -63.6 -29.0 70.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.983 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 78.2 mt-30 -62.34 -51.05 69.15 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.662 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -89.9 -30.3 17.96 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.985 -169.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 46.5 m -67.58 151.06 47.96 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.2 92.22 0.48 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -33.06 66.82 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -95.14 -77.56 0.47 Allowed 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.22 76.85 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 121.191 -0.528 . . . . 0.0 114.397 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.78 15.84 9.05 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 59.44 27.41 16.54 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 3.5 t60 73.1 10.97 5.19 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.869 0.868 . . . . 0.0 111.499 173.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -109.2 156.18 20.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.018 -1.051 . . . . 0.0 111.433 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.502 ' O ' ' HE3' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -72.62 -40.28 66.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -167.511 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.502 ' HE3' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER 72.92 131.65 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.608 1.163 . . . . 0.0 109.876 -169.684 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.625 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 49.2 mtpt -65.56 -28.88 69.47 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.193 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.9 t -66.41 -34.33 77.71 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 121.318 0.58 . . . . 0.0 110.695 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.13 -18.7 41.95 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.606 -0.684 . . . . 0.0 110.579 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.4 tm? -63.77 -24.96 67.97 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.219 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -56.25 -52.71 63.46 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.964 0.887 . . . . 0.0 111.379 175.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.84 -34.42 77.77 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.317 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.419 ' HG ' ' CD1' ' B' ' 40' ' ' LEU . 32.4 tp -67.78 -42.1 82.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.447 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.505 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 10.3 pt -66.22 -43.01 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -63.25 -21.38 66.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.39 0.614 . . . . 0.0 111.877 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -99.73 -69.36 0.77 Allowed 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' A' ' 1' ' ' SER . 16.8 tp10 -101.15 -24.14 14.33 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -166.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.3 mp -97.67 -21.72 16.86 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.416 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.7 m -144.47 90.42 2.09 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.455 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -113.97 -40.45 3.73 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -88.65 -4.5 58.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.057 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.6 92.17 5.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.772 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.47 -11.78 16.87 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.228 0.537 . . . . 0.0 110.324 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 12.6 pt-20 -150.61 -153.52 0.49 Allowed 'General case' 0 N--CA 1.42 -1.963 0 C-N-CA 124.407 1.083 . . . . 0.0 108.409 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 75.3 mt 87.18 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.177 1.391 . . . . 0.0 111.279 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' B' ' 82' ' ' THR . 29.8 mmmt -137.34 4.98 2.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 46' ' ' GLU 0.254 0.0 OUTLIER -62.77 -47.17 84.67 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.315 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -56.17 -34.26 66.02 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.275 0.489 . . . . 0.0 112.232 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -81.74 -57.37 3.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.55 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.01 -45.98 79.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.546 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.3 t -56.11 -40.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.04 -43.11 88.5 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.602 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -63.33 -35.73 81.35 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.794 0.807 . . . . 0.0 109.713 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.73 -47.31 86.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.417 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -66.03 -28.6 68.98 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.431 0.634 . . . . 0.0 110.257 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.04 -57.06 6.74 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.475 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' B' ' 63' ' ' ASP . 13.7 p -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 6.6 mp -56.03 -31.77 63.43 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -95.72 -50.58 4.87 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.288 0.566 . . . . 0.0 112.14 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.24 -48.68 40.96 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.046 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' B' ' 59' ' ' THR . 32.4 t70 -76.17 -62.08 1.73 Allowed 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.37 -52.25 1.82 Allowed Glycine 0 CA--C 1.525 0.657 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.585 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 69.44 -46.99 0.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.953 2.501 . . . . 0.0 112.569 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.79 -14.08 10.62 Favored Glycine 0 C--N 1.299 -1.499 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 12.1 pt-20 -157.39 -179.03 7.8 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.603 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.0 t -145.84 133.13 20.57 Favored 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 172.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -106.5 166.41 10.57 Favored 'General case' 0 C--N 1.283 -2.292 0 O-C-N 124.155 0.909 . . . . 0.0 109.63 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 78' ' ' ALA . 13.0 p90 -63.82 -24.07 67.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.246 0.546 . . . . 0.0 110.499 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.877 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.603 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 49.7 mt-10 -78.43 -31.24 48.05 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -54.39 -46.6 73.11 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.522 ' SD ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.59 -53.79 36.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.342 174.686 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -49.9 -54.24 20.9 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.964 0.79 . . . . 0.0 112.773 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.484 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 74.1 m-85 -65.7 -42.83 90.69 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.97 -32.71 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 120.998 0.428 . . . . 0.0 110.935 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 70' ' ' PHE . . . -74.87 -33.92 62.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.317 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' B' ' 75' ' ' ALA 0.267 25.5 ptt? -82.9 -31.34 27.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.542 -1.263 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.83 -39.33 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.541 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -85.23 -24.21 27.92 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.99 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.528 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 60.1 m -138.3 -102.06 0.18 Allowed 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 121.555 -0.716 . . . . 0.0 112.716 -176.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 51.58 173.94 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.05 0.94 . . . . 0.0 112.919 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.1 m 66.6 -52.81 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.215 1.406 . . . . 0.0 114.694 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -127.71 70.41 1.33 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.08 121.86 14.1 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.893 -175.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.493 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 87.4 m-85 72.58 -6.26 1.65 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.746 1.218 . . . . 0.0 112.127 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -103.02 -31.47 10.19 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.939 0.4 . . . . 0.0 110.223 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.36 -40.03 81.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -106.73 -89.67 0.44 Allowed 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' B' ' 87' ' ' PHE . 13.4 pt-20 . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 120.532 0.206 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.27 -33.52 73.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.388 0.675 . . . . 0.0 110.325 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 3.1 tm? -69.86 -32.58 71.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.86 -52.22 66.0 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.262 0.351 . . . . 0.0 111.188 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.411 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -82.1 -63.38 1.39 Allowed 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -58.92 -41.11 86.5 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.507 0.504 . . . . 0.0 110.944 -171.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.51 -38.99 82.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.78 94.04 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.6 mp -64.58 -51.5 62.44 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.958 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -71.02 -31.73 46.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-O 121.143 0.496 . . . . 0.0 112.0 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.0 -22.42 31.37 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 10' ' ' LEU . 8.6 p -65.97 -33.16 61.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.61 177.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 69' ' ' ASP . 63.1 m-85 -66.22 -29.35 69.59 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-O 121.46 0.647 . . . . 0.0 110.598 173.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -76.37 -48.52 19.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.164 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.85 -44.93 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.716 0.806 . . . . 0.0 110.514 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -84.98 80.23 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.021 0.915 . . . . 0.0 108.896 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -75.64 104.82 6.37 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.5 162.49 47.55 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.945 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -32.77 72.25 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.907 0.86 . . . . 0.0 108.771 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 65.4 tt0 -115.91 -19.74 10.28 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.145 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -59.71 -51.9 56.25 Favored Glycine 0 CA--C 1.499 -0.915 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 173.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.9 81.28 8.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.8 tmtt? -176.57 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 125.601 1.56 . . . . 0.0 106.844 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -176.32 79.45 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 10.5 mmpt? 63.5 174.75 0.16 Allowed 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.881 1.272 . . . . 0.0 113.453 176.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -110.57 138.43 46.97 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.011 -0.431 . . . . 0.0 112.115 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HZ3' ' CD ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -48.78 150.62 1.4 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.602 1.161 . . . . 0.0 111.979 172.024 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 82.2 mttt -68.27 -30.19 69.15 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.882 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.6 m -62.89 -30.57 71.63 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.19 -30.81 58.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.29 -29.15 70.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.295 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.9 tmmt? -56.75 -50.44 72.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.998 0.904 . . . . 0.0 111.476 176.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.33 -22.81 61.87 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -75.02 -47.33 29.57 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 14.8 pt -63.99 -32.18 56.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 CA-C-O 121.947 0.88 . . . . 0.0 111.979 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.11 -41.46 79.0 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.599 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -93.45 -61.69 1.51 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.215 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.24 73.46 0.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.957 0.884 . . . . 0.0 110.879 -172.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' HG23 ' A' ' 77' ' ' VAL . 5.1 tt -175.42 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.1 m -58.95 96.28 0.03 OUTLIER 'General case' 0 C--O 1.242 0.693 0 O-C-N 124.709 1.256 . . . . 0.0 109.644 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -159.44 119.39 3.03 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 60.52 53.52 4.12 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.6 mt -81.36 85.02 6.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -94.32 -52.79 4.19 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.37 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.73 -47.72 81.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.517 -1.22 . . . . 0.0 111.23 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 47.5 mm 66.12 71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.375 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -144.79 10.77 1.38 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.482 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.527 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -89.3 -15.26 33.88 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.555 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -48.57 -29.97 4.82 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.631 1.572 . . . . 0.0 111.69 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.45 -58.8 3.03 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.02 -31.61 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.175 -172.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 56' ' ' VAL . 75.4 t -68.23 -39.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 122.036 -0.415 . . . . 0.0 111.379 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.63 -37.5 84.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.148 0.975 . . . . 0.0 108.888 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -27.11 61.5 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.537 -1.211 . . . . 0.0 112.59 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 53' ' ' VAL . 1.3 p -70.4 -36.57 67.23 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -67.84 -40.24 83.74 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.54 -58.47 8.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.31 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -64.85 -42.79 94.6 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 18.3 tp -53.29 -46.17 69.22 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.922 0.764 . . . . 0.0 110.87 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.05 -41.86 21.97 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.578 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.52 -43.12 93.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.767 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.46 -77.42 0.15 Allowed 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.978 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.05 32.9 5.03 Favored Glycine 0 N--CA 1.475 1.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 114.285 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.01 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.63 64.61 0.54 Allowed Glycine 0 CA--C 1.465 -3.089 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 63.17 178.73 0.15 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 126.096 1.758 . . . . 0.0 110.457 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 13.9 p -148.64 156.04 41.86 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 15.9 t70 -160.43 -144.31 0.11 Allowed 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.468 ' CD2' ' HB1' ' B' ' 78' ' ' ALA . 48.1 p90 -40.57 -50.2 2.97 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.582 1.953 . . . . 0.0 115.596 -172.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -54.48 39.3 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.675 0.75 . . . . 0.0 110.669 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.37 -33.1 61.02 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.477 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.4 t80 -54.63 -56.88 14.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.51 ' SD ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -58.1 -40.59 81.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.577 -178.381 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.2 69.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.456 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -64.95 -48.2 74.9 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.3 p -65.89 -50.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -22.96 65.1 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.439 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.415 ' HA ' ' CB ' ' A' ' 83' ' ' ALA . 24.4 ptt? -80.38 -38.12 30.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.379 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.0 m -73.88 -34.56 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.242 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -84.58 -43.67 14.25 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -110.78 -49.56 3.03 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' A' ' 79' ' ' MET . . . -65.05 -7.52 12.38 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 49' ' ' GLU . 85.3 m -61.33 -22.25 64.74 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.587 0.708 . . . . 0.0 109.879 172.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.0 27.92 3.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.223 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 65.0 -85.08 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.282 1.433 . . . . 0.0 112.802 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.93 -39.09 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.417 0 CA-C-O 117.936 -1.031 . . . . 0.0 111.368 -172.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -33.19 -38.37 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -171.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -62.97 -31.51 72.63 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.708 0.766 . . . . 0.0 110.394 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -110.36 -62.2 1.55 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 . . . . . 0 C--O 1.256 1.402 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.534 -174.245 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 109.52 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.83 -34.83 72.1 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.781 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.83 -46.69 87.09 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -69.62 -29.6 67.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.113 0.483 . . . . 0.0 110.189 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.592 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -81.97 -63.65 1.34 Allowed 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -58.3 -40.61 82.45 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.421 0.451 . . . . 0.0 111.032 -171.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -66.97 -39.9 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.667 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.61 90.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.592 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.6 mp -66.8 -52.01 49.02 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.96 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 45.0 pt -70.51 -31.77 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.147 0.498 . . . . 0.0 111.893 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.66 -22.7 32.06 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.522 HG11 ' O ' ' B' ' 10' ' ' LEU . 10.0 p -66.26 -33.1 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.603 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -65.93 -29.52 69.95 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.502 0.668 . . . . 0.0 110.626 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -76.43 -48.96 17.94 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.658 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -52.24 -43.11 64.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.444 1.097 . . . . 0.0 111.256 176.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -89.78 79.99 6.61 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.0 m -72.52 124.53 25.41 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.837 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.25 163.76 21.13 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.143 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -73.34 -28.77 62.24 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 122.139 0.971 . . . . 0.0 108.881 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' B' ' 24' ' ' LYS . 38.7 tt0 -117.7 -21.78 8.33 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.11 -1.404 . . . . 0.0 108.271 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' B' ' 26' ' ' LYS . . . -59.02 -48.85 83.91 Favored Glycine 0 C--N 1.343 0.922 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 172.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.04 79.63 9.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' B' ' 21' ' ' GLU . 13.5 tmtt? -174.62 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -175.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -174.37 78.02 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.321 173.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.543 ' O ' ' HA2' ' B' ' 22' ' ' GLY . 10.7 mmpt? 64.0 174.89 0.18 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 125.142 1.377 . . . . 0.0 113.233 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.8 134.47 52.0 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -173.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -45.95 148.61 0.78 Allowed 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 125.171 1.389 . . . . 0.0 112.059 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.441 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 83.8 mttt -67.04 -29.65 69.51 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.344 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.3 m -63.62 -28.53 69.98 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.429 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.24 -31.73 49.35 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.421 0.629 . . . . 0.0 109.706 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -29.33 70.08 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.048 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -57.36 -48.2 79.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.842 0.857 . . . . 0.0 111.756 175.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.48 -25.56 60.51 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.285 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.29 -47.86 46.76 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.699 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' B' ' 40' ' ' LEU . 16.3 pt -63.62 -32.99 58.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 121.903 0.859 . . . . 0.0 112.048 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.04 -38.25 72.94 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.063 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -97.49 -63.58 1.12 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.361 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' A' ' 3' ' ' LEU . 10.8 tp10 -103.12 73.16 1.21 Allowed 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.972 0.892 . . . . 0.0 110.257 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' B' ' 77' ' ' VAL . 5.3 tt -177.61 -52.1 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -60.25 95.29 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.668 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -159.69 116.96 2.63 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.07 -174.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 61.62 51.8 3.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.81 86.65 5.96 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.29 -46.6 5.22 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.223 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.71 -40.15 94.02 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.035 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.471 ' HA ' ' OE1' ' B' ' 49' ' ' GLU . 44.3 mm 57.87 70.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-O 122.742 1.258 . . . . 0.0 111.582 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -146.55 10.94 1.11 Allowed 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 113.53 -1.668 . . . . 0.0 108.524 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.571 ' HA ' ' SG ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -88.88 -17.68 29.13 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 113.787 -1.552 . . . . 0.0 107.386 -179.343 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -45.35 -35.95 3.88 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.674 1.59 . . . . 0.0 111.636 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -74.78 -56.14 5.1 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.184 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.7 t -73.1 -32.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.039 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.645 ' O ' HG13 ' B' ' 56' ' ' VAL . 72.0 t -67.79 -39.86 82.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 122.778 0.431 . . . . 0.0 111.26 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.35 -36.41 82.81 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.288 1.042 . . . . 0.0 108.771 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -75.36 -25.26 57.58 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.522 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.645 HG13 ' O ' ' B' ' 53' ' ' VAL . 1.1 p -72.11 -36.18 55.8 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.898 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -67.14 -40.33 86.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -61.0 2.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.236 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.3 p -61.77 -42.84 99.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 19.2 tp -52.52 -47.96 66.32 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 124.002 0.814 . . . . 0.0 110.976 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.8 -43.22 22.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.541 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.72 -39.39 84.5 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.16 -77.62 0.19 Allowed 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.98 37.46 5.51 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 123.375 0.422 . . . . 0.0 113.951 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.05 -72.91 0.07 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.09 65.35 0.4 Allowed Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 64.36 178.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.92 1.688 . . . . 0.0 110.462 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 15.2 p -149.04 156.23 41.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.414 ' OD2' ' HD1' ' B' ' 70' ' ' PHE . 13.0 t70 -158.06 -145.97 0.15 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.414 ' HD1' ' OD2' ' B' ' 69' ' ' ASP . 54.5 p90 -40.6 -47.55 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -62.69 -58.36 7.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.585 0.707 . . . . 0.0 110.118 -174.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.55 -32.32 65.98 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.268 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.605 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.9 t80 -55.18 -56.91 14.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.495 ' SD ' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -57.99 -42.12 84.46 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.143 0.902 . . . . 0.0 111.299 -178.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -51.99 66.1 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.407 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -63.82 -48.92 74.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.239 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.605 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.9 p -64.79 -51.8 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -68.38 -22.62 64.63 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.567 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.421 ' HA ' ' CB ' ' B' ' 83' ' ' ALA . 24.5 ptt? -80.18 -37.68 32.8 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 118.344 -1.342 . . . . 0.0 111.201 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.8 m -73.78 -34.3 40.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.292 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 -47.15 10.98 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.922 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -108.18 -47.24 3.58 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -172.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' B' ' 79' ' ' MET . . . -67.13 -3.72 8.27 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -173.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' B' ' 49' ' ' GLU . 77.8 m -67.92 -14.49 63.0 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.694 0.759 . . . . 0.0 109.584 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -140.59 28.47 1.99 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.491 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 62.85 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.281 -1.327 . . . . 0.0 113.674 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -175.63 -38.28 0.01 OUTLIER 'General case' 0 C--O 1.181 -2.544 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.187 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -33.72 -39.78 0.07 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 117.181 2.289 . . . . 0.0 117.181 -171.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -61.63 -32.91 73.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.504 0.669 . . . . 0.0 110.224 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -108.57 -61.51 1.59 Allowed 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.191 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.477 ' OE2' ' HE3' ' A' ' 26' ' ' LYS . 14.3 tp10 . . . . . 0 C--N 1.356 0.876 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -173.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 33.9 m . . . . . 0 C--O 1.243 0.717 0 CA-C-O 121.541 0.686 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 7.2 tp10 -82.7 -38.66 23.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' B' ' 73' ' ' PHE . 3.9 mm? -66.8 -27.7 67.78 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.25 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 1' ' ' SER . 39.2 tt0 -55.03 -60.21 3.68 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.432 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 16.2 ptpt -63.79 -29.89 71.04 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.223 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.73 -49.95 34.68 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -68.91 -42.16 77.21 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.46 -34.24 67.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.548 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.87 80.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.444 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.52 -41.3 85.15 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.692 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 pt -82.89 -39.4 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 119.821 -0.752 . . . . 0.0 112.904 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.95 -40.15 68.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.919 -0.488 . . . . 0.0 111.256 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.15 -32.2 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 121.27 0.557 . . . . 0.0 109.524 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.08 -42.48 99.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.054 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.485 ' HB2' ' OXT' ' B' ' 91' ' ' GLU . 69.2 t60 -60.63 -44.0 96.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.17 175.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -52.53 -26.63 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -87.26 90.05 8.22 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 126.72 52.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.678 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -84.96 162.04 36.77 Favored Glycine 0 N--CA 1.425 -2.037 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.52 68.59 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 117.231 0.516 . . . . 0.0 109.804 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -156.44 -70.45 0.11 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.565 1.146 . . . . 0.0 110.163 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.9 -39.6 97.74 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.805 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.529 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 22.7 m-20 -84.61 4.17 33.49 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.445 0.641 . . . . 0.0 110.339 -177.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -97.72 -26.59 14.68 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -87.61 -55.42 3.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 45.4 mtmt -119.28 131.89 55.82 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 172.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.48 -33.52 54.55 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 70.78 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.375 1.07 . . . . 0.0 110.217 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' CE ' ' HA3' ' A' ' 64' ' ' GLY . 44.6 mttm -72.81 -19.43 61.33 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 19.0 m -61.72 -26.72 68.22 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.127 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -85.71 -33.12 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 109.413 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.62 -29.51 70.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.156 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HA ' HG12 ' A' ' 36' ' ' ILE 0.256 0.0 OUTLIER -64.31 -27.84 69.31 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 178.807 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.83 0.824 . . . . 0.0 109.501 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 31.2 tp -71.8 -40.84 68.9 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 6.2 pt -66.3 -43.52 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.99 -26.15 68.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.868 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.477 HD21 ' HG2' ' A' ' 39' ' ' GLU . 6.5 t30 -97.05 -62.22 1.29 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.477 ' HG2' HD21 ' A' ' 38' ' ' ASN . 26.1 mm-40 -91.94 -52.91 4.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -173.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 4.1 mp -67.18 -33.78 76.13 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.406 -170.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -122.68 74.88 1.22 Allowed 'General case' 0 N--CA 1.42 -1.973 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.189 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -119.69 14.93 12.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.224 -1.353 . . . . 0.0 107.377 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -110.51 87.37 2.51 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.652 -1.158 . . . . 0.0 107.997 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.95 70.04 9.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.773 0.797 . . . . 0.0 110.724 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -124.99 -77.79 0.59 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.546 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.52 -33.61 60.75 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.672 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm 58.44 76.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.326 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -93.45 -13.58 27.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 122.064 0.935 . . . . 0.0 109.438 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.24 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.98 -40.76 63.99 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 112.14 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.93 -55.83 4.35 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.048 0.928 . . . . 0.0 110.608 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 79' ' ' MET . 58.0 t -72.13 -38.08 61.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 57' ' ' MET . 37.6 t -56.3 -41.09 69.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 118.084 0.402 . . . . 0.0 111.771 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.94 -44.91 95.79 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.06 0.457 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.34 -36.15 83.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.541 0.686 . . . . 0.0 109.838 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.556 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 12.2 t -62.92 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 C-N-CA 124.773 1.229 . . . . 0.0 110.597 174.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -66.38 -29.56 69.76 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.019 0.438 . . . . 0.0 110.607 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -73.59 -53.26 10.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.963 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -62.31 -34.78 77.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.754 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 3.5 tp -44.43 -40.99 5.9 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 126.266 1.826 . . . . 0.0 110.836 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.32 -49.78 3.28 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.717 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -46.82 43.55 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -72.18 -32.3 66.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' HA3' ' CE ' ' A' ' 29' ' ' LYS . . . -125.68 -172.94 13.51 Favored Glycine 0 N--CA 1.438 -1.224 0 C-N-CA 119.624 -1.274 . . . . 0.0 113.562 -177.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.35 -51.27 4.44 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.68 42.15 0.02 OUTLIER Glycine 0 C--N 1.283 -2.403 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 156.13 45.03 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 124.176 0.99 . . . . 0.0 110.78 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 94.4 m -141.27 139.78 33.76 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.806 171.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.21 163.4 24.79 Favored 'General case' 0 C--N 1.277 -2.578 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -64.9 -23.49 67.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 117.938 0.335 . . . . 0.0 111.27 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.32 -35.18 78.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.09 -0.644 . . . . 0.0 109.66 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.54 -29.39 37.16 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.527 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -58.58 -44.88 89.95 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 176.107 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -50.02 72.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.651 172.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -55.56 -54.21 46.84 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.748 -177.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -64.12 -40.52 96.37 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.06 -43.19 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.028 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.583 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -67.9 -29.38 68.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.66 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 75' ' ' ALA 0.293 23.6 ptt? -85.35 -34.63 21.76 Favored 'General case' 0 N--CA 1.425 -1.702 0 C-N-CA 118.594 -1.243 . . . . 0.0 113.417 177.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.1 m -76.32 -37.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -84.83 -53.13 5.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.254 0.55 . . . . 0.0 111.226 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 21.0 m -89.99 -70.33 0.67 Allowed 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.125 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 54.75 38.41 30.09 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.662 0.785 . . . . 0.0 110.365 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m 75.32 -9.93 1.32 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.214 1.406 . . . . 0.0 112.773 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -85.25 141.29 30.21 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 79.59 -21.56 0.33 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.988 1.315 . . . . 0.0 111.797 -173.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -80.64 -7.02 59.16 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.438 0.637 . . . . 0.0 111.589 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.6 -33.17 5.63 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.513 -0.875 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.61 -61.03 2.12 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -73.68 -54.68 7.55 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 41.5 tt0 . . . . . 0 N--CA 1.433 -1.305 0 O-C-N 126.064 2.103 . . . . 0.0 105.44 -171.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 57.1 m . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 120.856 0.36 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 6.8 tp10 -81.65 -39.93 23.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -175.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 73' ' ' PHE . 3.7 mm? -67.42 -25.28 65.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.38 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' B' ' 1' ' ' SER . 37.4 tt0 -56.83 -60.53 3.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.445 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 17.7 ptpt -60.93 -29.88 69.88 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.446 -176.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.57 -52.33 13.84 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -65.75 -43.36 89.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.66 -33.49 63.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -47.21 79.01 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.863 0.364 . . . . 0.0 110.454 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.12 -40.11 84.4 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.764 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 pt -83.52 -41.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.653 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 20.9 t70 -68.73 -41.35 79.1 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.749 0.309 . . . . 0.0 111.364 -175.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.25 -31.64 47.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.33 -45.69 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.52 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 73.7 t60 -58.46 -44.36 89.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.937 176.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.7 mt-30 -51.07 -29.01 11.74 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.595 0.559 . . . . 0.0 112.5 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -84.09 87.06 7.13 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -103.85 122.9 46.11 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.458 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.499 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.16 165.0 46.52 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -37.92 73.37 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 117.583 0.691 . . . . 0.0 109.635 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -151.41 -64.08 0.18 Allowed 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.097 0.559 . . . . 0.0 110.784 172.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.34 96.15 Favored Glycine 0 CA--C 1.501 -0.789 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.519 ' HA ' ' O ' ' B' ' 26' ' ' LYS . 21.5 m-20 -80.97 -0.17 38.26 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 121.201 0.524 . . . . 0.0 110.015 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -94.52 -20.15 19.9 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -93.94 -56.17 2.97 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 48.0 mtmt -120.44 130.95 54.55 Favored 'General case' 0 N--CA 1.42 -1.964 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.51 -34.39 60.81 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -171.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 71.6 139.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.71 1.204 . . . . 0.0 110.079 -172.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.465 ' CE ' ' HA3' ' B' ' 64' ' ' GLY . 44.9 mttm -73.03 -19.07 61.26 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' B' ' 33' ' ' LYS . 12.7 m -60.44 -28.42 68.27 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.914 174.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -85.56 -31.91 22.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.586 -0.696 . . . . 0.0 109.221 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.36 -28.78 70.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.934 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 30' ' ' SER 0.263 0.0 OUTLIER -66.11 -23.03 66.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.715 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.43 -38.47 49.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.071 0.939 . . . . 0.0 108.736 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.547 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 31.2 tp -65.59 -40.06 92.26 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.201 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 6.6 pt -66.93 -42.21 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -63.79 -27.03 68.91 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.93 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -97.51 -57.62 2.2 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -94.85 -53.58 3.79 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 4.2 mp -65.95 -36.91 84.64 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.567 -170.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -121.73 77.17 1.33 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 118.424 -1.311 . . . . 0.0 108.79 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -121.17 18.37 11.56 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -114.17 87.44 2.63 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.91 66.81 7.03 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.481 0.658 . . . . 0.0 110.358 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.07 -68.23 0.9 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.622 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.62 -33.04 28.02 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.331 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm 57.36 80.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 124.053 0.941 . . . . 0.0 111.899 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -98.41 -15.05 19.81 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.125 0.964 . . . . 0.0 109.237 176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.13 -33.74 67.69 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.839 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -53.76 -41.85 67.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.192 0.52 . . . . 0.0 111.816 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.28 -54.28 5.37 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.906 0.86 . . . . 0.0 110.798 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 79' ' ' MET . 54.5 t -74.27 -38.64 48.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -168.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' B' ' 57' ' ' MET . 26.5 t -56.18 -42.48 73.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 118.034 0.379 . . . . 0.0 111.558 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.48 -42.18 98.38 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 111.614 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.33 -34.99 75.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.427 0.632 . . . . 0.0 109.777 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.603 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 10.6 t -62.86 -42.67 97.31 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.796 0 C-N-CA 124.332 1.053 . . . . 0.0 110.36 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.1 mmt -69.62 -20.52 63.61 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.374 0.607 . . . . 0.0 110.951 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -80.76 -56.63 4.01 Favored 'General case' 0 N--CA 1.432 -1.331 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 p -59.78 -34.9 73.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.474 0.71 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 3.6 tp -45.07 -40.57 6.85 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.889 1.676 . . . . 0.0 110.706 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -106.88 -45.73 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.218 -1.355 . . . . 0.0 113.284 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.18 -47.6 19.86 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -73.38 -31.62 64.01 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -170.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.465 ' HA3' ' CE ' ' B' ' 29' ' ' LYS . . . -124.07 -172.18 13.62 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 119.353 -1.403 . . . . 0.0 113.16 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -102.6 -46.08 4.85 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 123.669 0.788 . . . . 0.0 111.379 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.92 41.7 0.02 OUTLIER Glycine 0 C--N 1.285 -2.271 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 154.72 47.9 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 124.222 1.009 . . . . 0.0 110.769 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.412 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 74.6 m -139.96 145.24 37.62 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.332 171.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -134.21 164.05 28.25 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -63.57 -24.7 67.92 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.363 0.265 . . . . 0.0 111.307 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.53 -35.53 80.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.753 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 47.1 mt-10 -82.28 -28.8 31.55 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.547 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 0.6 OUTLIER -58.76 -44.98 90.73 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 175.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -47.69 82.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.748 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -56.41 -56.08 25.54 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.256 -177.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -63.35 -40.56 97.61 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.86 -42.94 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.138 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.604 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.49 -30.01 68.75 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.566 -177.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' B' ' 75' ' ' ALA 0.295 23.7 ptt? -85.07 -34.21 22.29 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 118.633 -1.227 . . . . 0.0 113.496 177.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.96 -36.71 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.185 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -85.17 -53.96 4.92 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.403 0.62 . . . . 0.0 111.361 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 18.4 m -89.32 -69.76 0.7 Allowed 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.737 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 56.19 34.98 24.94 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.69 0.796 . . . . 0.0 110.35 -177.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.9 m 76.97 -7.71 1.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.846 1.659 . . . . 0.0 112.389 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.27 144.93 27.16 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 9.8 mm-40 78.05 -18.36 0.51 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.172 0.989 . . . . 0.0 110.801 -173.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -86.1 -10.01 55.65 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.485 0.659 . . . . 0.0 111.123 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -112.31 -36.46 5.29 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.155 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -74.93 -59.38 2.76 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' B' ' 86' ' ' GLU . 19.1 t-80 -75.53 -55.67 5.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.485 ' OXT' ' HB2' ' A' ' 15' ' ' HIS . 40.4 tt0 . . . . . 0 N--CA 1.439 -1.021 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 -172.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.463 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 10.4 m . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.15 -46.68 64.21 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.3 tp -80.71 -37.72 30.14 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.279 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 45.2 mt-10 -51.46 -53.89 32.52 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 123.919 0.762 . . . . 0.0 111.838 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 1' ' ' SER . 21.8 pttm -69.64 -30.28 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.771 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.427 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.78 -44.25 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.65 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -62.46 -47.07 85.64 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.028 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.0 t -59.98 -47.44 91.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.028 178.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.41 75.89 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 60.8 mt -63.87 -44.33 93.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.007 0.432 . . . . 0.0 111.917 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.27 -35.32 15.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-O 121.25 0.547 . . . . 0.0 111.329 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 37.2 t70 -71.26 -38.58 71.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.302 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.8 -32.26 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.379 0.609 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.28 10.69 6.48 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.565 1.174 . . . . 0.0 109.598 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 -33.49 4.82 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.792 175.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 50.9 mt-30 -60.37 -38.23 83.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -47.34 -47.48 25.79 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.983 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.61 -31.91 6.52 Favored Glycine 0 N--CA 1.423 -2.215 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 7.0 ppt_? -75.35 -34.94 61.22 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 tp10 -109.74 -50.58 2.97 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.708 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -57.82 -48.89 78.99 Favored Glycine 0 C--O 1.181 -3.193 0 CA-C-N 113.544 -1.662 . . . . 0.0 113.344 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -85.62 12.23 9.17 Favored 'General case' 0 C--N 1.283 -2.301 0 CA-C-N 118.248 1.024 . . . . 0.0 113.373 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -112.19 -40.84 4.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.147 0.498 . . . . 0.0 110.62 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.419 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . 15.8 m-70 -112.4 -28.79 7.75 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.382 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.708 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.0 mmpt? 80.74 -162.42 0.02 OUTLIER 'General case' 0 C--O 1.239 0.519 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -160.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.79 135.78 48.63 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.718 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -53.55 144.88 16.19 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 124.533 1.146 . . . . 0.0 108.395 170.341 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 16.3 ptpt -69.55 -20.08 63.68 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.987 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.595 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 3.1 p -62.44 -32.04 72.85 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.724 173.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -84.67 -17.46 38.46 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 121.908 -0.495 . . . . 0.0 112.148 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' HD11 ' A' ' 32' ' ' LEU . 3.4 tm? -60.86 -22.18 63.99 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.57 -38.24 66.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.71 172.409 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.52 -39.0 88.41 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.011 0.524 . . . . 0.0 110.544 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.6 -59.85 4.08 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.435 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 40' ' ' LEU . 21.4 pt -64.61 -35.02 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -175.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.64 -29.0 70.0 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.195 0.521 . . . . 0.0 111.218 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -110.14 -60.74 1.76 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -97.08 74.35 2.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 122.15 0.976 . . . . 0.0 109.495 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD11 HG23 ' A' ' 36' ' ' ILE . 1.6 tt -170.48 -65.92 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -86.08 89.23 7.75 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.822 -173.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.533 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 36.5 m80 -127.48 -61.04 1.16 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' B' ' 4' ' ' GLU . 42.7 p90 -99.12 -7.91 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 3.0 mm? -91.27 92.28 8.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.608 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -149.37 18.49 0.94 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -126.79 -20.99 4.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -163.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.06 -80.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 C-N-CA 118.875 -1.13 . . . . 0.0 110.546 -172.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -127.11 -71.6 0.67 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 105.653 -1.981 . . . . 0.0 105.653 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 53' ' ' VAL . 33.3 mt-10 55.37 -65.24 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 164.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -51.3 -42.11 60.95 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -74.38 -28.28 61.03 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 122.1 0.953 . . . . 0.0 110.037 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 t -87.51 -28.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.516 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.667 ' O ' HG13 ' A' ' 56' ' ' VAL . 97.9 t -63.68 -50.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.985 0.421 . . . . 0.0 110.774 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.63 -34.52 78.47 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.336 0.588 . . . . 0.0 110.69 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -30.71 57.14 Favored 'General case' 0 N--CA 1.423 -1.818 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.416 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.667 HG13 ' O ' ' A' ' 53' ' ' VAL . 3.0 p -71.06 -39.69 74.78 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -66.35 -33.11 74.98 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.162 0.506 . . . . 0.0 109.852 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.89 -57.12 4.92 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.487 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -65.21 -42.11 93.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 17.6 tp -58.46 -43.24 88.81 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.532 0.682 . . . . 0.0 110.453 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.38 -38.36 65.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.32 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.03 -44.15 85.52 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.811 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.14 -44.15 85.02 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.51 -124.49 6.68 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 116.387 1.315 . . . . 0.0 116.387 168.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 12.6 m-20 -86.32 161.44 18.72 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.455 -176.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.44 9.15 4.61 Favored Glycine 0 C--N 1.312 -0.75 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.817 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 28' ' ' LYS 0.266 1.1 mp0 56.52 160.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 176.169 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -96.74 142.16 29.1 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.912 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.27 163.33 15.42 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.403 ' CD1' ' HB1' ' B' ' 78' ' ' ALA . 12.1 p90 -61.79 -28.86 69.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.165 0.507 . . . . 0.0 111.318 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -66.52 -33.74 76.37 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.458 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 46.5 mt-10 -72.35 -31.85 65.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.55 -47.18 86.55 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.409 ' SD ' HD11 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -70.4 -40.75 73.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.42 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.31 -59.09 5.65 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 90.5 m-85 -61.49 -42.57 98.99 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.01 -45.78 79.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.18 72.39 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.226 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.508 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 26.9 ptt? -78.07 -28.14 48.77 Favored 'General case' 0 C--O 1.198 -1.607 0 C-N-CA 119.215 -0.994 . . . . 0.0 112.673 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 34.2 m -69.44 -37.27 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 C-N-CA 118.145 -1.422 . . . . 0.0 109.386 175.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -67.1 -47.52 70.95 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.281 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 36.4 p -93.53 -80.38 0.39 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 79' ' ' MET . . . 62.25 -78.2 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.276 1.83 . . . . 0.0 114.834 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.96 -8.44 57.98 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.776 -173.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' O ' ' HB ' ' A' ' 82' ' ' THR . 56.3 t-80 -133.35 127.68 34.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -76.24 137.79 40.19 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.652 ' HA ' ' C ' ' A' ' 91' ' ' GLU . 3.7 p90 -60.53 96.14 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.171 0.986 . . . . 0.0 110.941 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -109.53 -78.48 0.59 Allowed 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 114.978 -1.01 . . . . 0.0 108.97 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -72.4 -24.28 61.22 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.026 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -172.62 -33.42 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.116 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.652 ' C ' ' HA ' ' A' ' 87' ' ' PHE . 19.0 mp0 . . . . . 0 C--O 1.281 2.763 0 N-CA-C 100.299 -3.963 . . . . 0.0 100.299 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 32.4 m . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.86 -48.17 59.83 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 tp -80.36 -38.4 30.52 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.564 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.533 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 45.1 mt-10 -50.3 -53.63 27.24 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 123.819 0.699 . . . . 0.0 112.046 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' B' ' 1' ' ' SER . 23.5 pttm -69.45 -33.97 73.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.6 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -68.2 -44.13 76.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.346 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -61.95 -45.85 91.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.936 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.94 -44.32 97.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.214 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.78 74.91 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 53.8 mt -63.92 -44.63 92.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.133 -175.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.5 mt -79.47 -35.39 16.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.46 -38.8 68.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.45 -32.33 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.89 11.25 5.18 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 122.691 1.234 . . . . 0.0 109.59 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.13 -33.2 4.21 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.967 1.307 . . . . 0.0 110.161 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.65 -32.91 73.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.635 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -49.69 -50.57 43.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -161.58 142.37 10.94 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.93 -33.0 4.49 Favored Glycine 0 N--CA 1.433 -1.542 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -73.82 -30.28 62.62 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 111.619 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.75 -51.78 2.65 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.726 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -56.55 -46.97 87.39 Favored Glycine 0 C--O 1.177 -3.454 0 CA-C-N 113.671 -1.604 . . . . 0.0 113.104 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.1 8.17 21.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 118.362 1.081 . . . . 0.0 113.487 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -108.61 -44.62 4.02 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.245 0.545 . . . . 0.0 110.542 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.431 ' O ' ' HG2' ' B' ' 67' ' ' GLU . 22.4 m-70 -107.36 -29.08 9.48 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.891 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.726 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 8.9 mmpt? 79.85 -163.12 0.02 OUTLIER 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -159.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 7.2 mp -106.82 136.51 46.52 Favored 'General case' 0 C--N 1.287 -2.137 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.499 -176.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -55.24 145.76 20.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 124.541 1.151 . . . . 0.0 108.198 170.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -70.66 -20.01 62.75 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.807 -173.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.575 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 4.2 p -63.38 -30.3 71.46 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 120.712 0.291 . . . . 0.0 110.415 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.93 -17.59 37.28 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.0 111.81 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.43 HD11 ' O ' ' B' ' 32' ' ' LEU . 3.4 tm? -61.28 -22.31 64.73 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 173.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.575 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.45 -38.83 66.79 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.601 172.492 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.42 -36.57 81.52 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.176 0.513 . . . . 0.0 110.983 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.25 -60.15 3.55 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.137 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.415 HG23 HD11 ' B' ' 40' ' ' LEU . 22.7 pt -64.86 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -176.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.12 -32.67 74.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.127 0.489 . . . . 0.0 110.89 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -108.32 -61.2 1.62 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -96.1 75.07 3.02 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 122.142 0.972 . . . . 0.0 109.333 -175.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.42 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.8 tt -171.88 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.1 m -85.58 89.95 7.85 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.913 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.55 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 36.2 m80 -131.26 -67.5 0.7 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -92.58 -20.1 21.25 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 117.965 -1.494 . . . . 0.0 110.161 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.94 96.17 6.32 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.527 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -149.43 21.94 0.93 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.66 -25.9 3.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -164.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.46 -80.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 118.811 0.732 . . . . 0.0 111.816 -170.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -129.33 -69.65 0.69 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.532 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 40.6 mt-10 53.37 -68.52 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.787 0 N-CA-C 118.845 2.906 . . . . 0.0 118.845 164.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -46.35 -48.18 18.47 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -167.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.07 -34.36 77.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.265 1.031 . . . . 0.0 110.103 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 t -83.78 -25.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.401 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.644 ' O ' HG13 ' B' ' 56' ' ' VAL . 96.5 t -65.02 -47.94 86.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-O 120.693 0.282 . . . . 0.0 111.098 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.88 -35.5 76.95 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.661 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -71.99 -32.07 66.87 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.644 HG13 ' O ' ' B' ' 53' ' ' VAL . 3.7 p -70.81 -40.69 76.97 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.9 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.6 mmt -64.12 -41.5 97.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.41 -54.96 32.61 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.818 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -67.54 -41.55 84.11 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.2 tp -58.67 -44.99 90.36 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 123.642 0.589 . . . . 0.0 110.786 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.55 -35.75 58.05 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.736 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.52 -46.28 90.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.97 -49.04 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.78 -113.18 3.62 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 170.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.467 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 9.3 m-20 -92.75 169.44 10.48 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.847 -174.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.34 14.22 7.13 Favored Glycine 0 C--N 1.315 -0.585 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.17 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' B' ' 28' ' ' LYS 0.257 1.3 mp0 54.72 162.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 177.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 58.0 m -100.79 139.59 36.26 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.275 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.74 163.55 15.68 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 173.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -58.91 -31.1 68.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.256 0.551 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.66 -34.14 77.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.902 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.461 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 51.0 mt-10 -72.79 -32.27 65.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.614 ' O ' HG11 ' B' ' 77' ' ' VAL . 1.4 t80 -59.3 -48.17 82.63 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -41.45 77.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -59.17 5.67 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 89.3 m-85 -61.39 -41.84 97.76 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.614 HG11 ' O ' ' B' ' 73' ' ' PHE . 7.3 p -68.97 -45.99 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.413 ' N ' HG13 ' B' ' 77' ' ' VAL . . . -70.14 -32.77 70.91 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.856 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.564 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 27.0 ptt? -78.87 -25.63 43.92 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.515 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' B' ' 49' ' ' GLU . 34.2 m -71.44 -35.98 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.062 174.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m -67.8 -49.47 62.16 Favored 'General case' 0 N--CA 1.412 -2.356 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -92.85 -80.06 0.38 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' B' ' 79' ' ' MET . . . 62.18 -84.38 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.972 1.709 . . . . 0.0 114.282 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.7 m -75.84 -22.39 56.3 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.01 -173.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -123.62 121.33 35.29 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.11 136.32 52.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 123.933 0.77 . . . . 0.0 108.949 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' B' ' 91' ' ' GLU . 0.8 OUTLIER -58.59 96.29 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 122.202 1.001 . . . . 0.0 111.392 177.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.97 -79.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.968 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.77 -27.72 65.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.182 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -168.83 -38.93 0.02 OUTLIER 'General case' 0 C--O 1.199 -1.567 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.516 ' C ' ' HA ' ' B' ' 87' ' ' PHE . 11.8 mp0 . . . . . 0 N--CA 1.418 -2.048 0 N-CA-C 100.356 -3.942 . . . . 0.0 100.356 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.0 tp10 -73.78 -47.69 37.07 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.9 -29.92 35.53 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -177.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.53 -52.01 65.14 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.247 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 52.8 pttt -68.33 -26.78 65.78 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.155 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.583 ' O ' HD11 ' A' ' 10' ' ' LEU . . . -67.52 -53.1 31.47 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.744 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -61.1 -40.14 92.61 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 109.934 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -40.56 89.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD11 ' O ' ' A' ' 6' ' ' ALA . 3.5 mp -62.89 -46.55 87.32 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.243 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.511 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 24.9 pt -72.29 -23.95 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.47 -27.99 29.08 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.717 0.294 . . . . 0.0 110.856 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 10' ' ' LEU . 6.0 p -68.77 -26.03 31.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.744 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 15.3 m-85 -65.66 -44.62 85.74 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.05 -39.29 81.57 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.105 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -65.57 -23.16 66.78 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -90.65 -172.48 3.41 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -73.2 167.96 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -173.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 23' ' ' ASP . . . 111.44 127.49 5.06 Favored Glycine 0 N--CA 1.414 -2.782 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.451 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.04 -34.63 10.0 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 176.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.74 -82.23 0.48 Allowed 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.7 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.1 99.44 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.998 -0.546 . . . . 0.0 114.403 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 2.5 m-20 -81.99 -14.78 55.5 Favored 'General case' 0 C--O 1.2 -1.549 0 CA-C-N 117.218 0.509 . . . . 0.0 110.268 -173.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -81.81 -21.5 37.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.914 0.864 . . . . 0.0 109.507 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -104.45 -41.65 5.68 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.352 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 9.3 mmpt? -118.52 95.05 4.7 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 23' ' ' ASP . 3.3 mm? -58.05 -35.66 71.66 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -166.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 13.1 mptt 83.87 126.87 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 125.152 1.381 . . . . 0.0 109.103 -166.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 12.3 ptmt -64.56 -18.58 64.98 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.547 -177.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 8.5 m -63.98 -28.53 69.88 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.259 173.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.35 -32.37 64.5 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.28 -29.84 69.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.141 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -59.51 -51.77 68.45 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.384 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.69 -29.57 68.87 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.111 0.481 . . . . 0.0 111.3 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 3.1 tm? -61.72 -55.62 28.37 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.861 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 32' ' ' LEU . 11.9 pt -64.95 -35.18 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -37.39 60.96 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 7.4 t30 -101.27 -45.09 5.46 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.73 -34.98 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -173.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -75.23 -64.87 0.97 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.709 0.766 . . . . 0.0 108.941 -173.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -92.13 37.81 0.99 Allowed 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.412 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 19.8 t-80 -75.78 88.48 2.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.933 0.397 . . . . 0.0 110.515 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 63.81 18.03 10.89 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.797 1.239 . . . . 0.0 112.425 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 tp -143.54 81.03 1.69 Allowed 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.89 -78.96 0.54 Allowed 'General case' 0 C--O 1.186 -2.255 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.079 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.06 103.3 9.85 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 73.0 mt -135.74 -64.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.1 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -158.31 -23.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.449 1.099 . . . . 0.0 113.111 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -60.75 -33.8 73.47 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 126.947 2.099 . . . . 0.0 113.543 -176.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.47 -35.3 52.35 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.96 -45.64 84.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.61 0.719 . . . . 0.0 109.16 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG1' HG12 ' A' ' 80' ' ' VAL . 39.9 t -74.64 -31.79 27.83 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.504 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 76.5 t -57.81 -43.87 85.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.054 0.541 . . . . 0.0 111.128 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.7 -39.78 94.24 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.519 0.676 . . . . 0.0 110.573 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -67.09 -39.21 86.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.846 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.25 -45.78 97.97 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 125.078 1.351 . . . . 0.0 110.466 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.1 mmt -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.501 0.191 . . . . 0.0 111.149 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.65 -59.5 4.2 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.5 p -61.81 -45.08 95.4 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -50.68 -50.18 55.47 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.864 0.866 . . . . 0.0 110.537 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.19 -42.38 26.18 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.589 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.58 -46.33 88.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.574 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.31 -60.71 2.25 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.187 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.7 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 124.051 0.844 . . . . 0.0 114.773 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -61.24 -31.25 71.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.352 0.596 . . . . 0.0 111.721 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 99.2 3.9 56.57 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.58 -178.24 6.22 Favored 'General case' 0 N--CA 1.409 -2.508 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.453 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 6.9 t -157.4 155.71 30.98 Favored 'General case' 0 N--CA 1.415 -2.193 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 171.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -140.02 171.81 13.66 Favored 'General case' 0 C--N 1.274 -2.682 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -60.71 -29.27 69.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.521 0.513 . . . . 0.0 110.025 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -63.91 -42.86 97.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.197 176.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 42.4 mt-10 -71.13 -39.28 72.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.881 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.634 ' O ' HG13 ' A' ' 77' ' ' VAL . 7.3 m-85 -55.17 -46.02 75.78 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 123.48 0.488 . . . . 0.0 109.793 174.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.469 ' SD ' HD23 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -64.1 -51.98 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.527 0.517 . . . . 0.0 110.801 176.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.76 -59.36 4.97 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -60.49 -45.62 93.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -75.06 -35.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.74 -28.04 44.87 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.718 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.8 ptm -70.47 -40.02 73.9 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.425 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.476 ' HB ' ' HB2' ' A' ' 49' ' ' GLU . 34.1 m -72.83 -50.61 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.986 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -85.01 -32.43 22.94 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -111.22 -57.82 2.19 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.4 -48.65 71.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -172.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.1 m -81.95 -13.44 57.48 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -97.1 -24.85 15.56 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.232 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.13 156.21 0.15 Allowed 'General case' 0 C--O 1.244 0.793 0 C-N-CA 125.56 1.544 . . . . 0.0 111.995 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.1 -14.06 61.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.57 -42.39 95.69 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.254 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -97.11 -13.36 22.23 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -81.12 -87.79 0.08 Allowed 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.221 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -171.732 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.6 tp10 -76.87 -42.29 40.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.75 -30.64 26.51 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.93 -56.08 18.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.945 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 55.5 pttt -64.68 -29.71 70.71 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.424 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.605 ' O ' HD11 ' B' ' 10' ' ' LEU . . . -65.21 -51.93 57.9 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.451 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -62.04 -39.14 91.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.949 0.404 . . . . 0.0 109.986 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.96 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.104 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.21 98.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.672 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.605 HD11 ' O ' ' B' ' 6' ' ' ALA . 3.6 mp -62.71 -45.52 92.34 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.473 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.477 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 24.9 pt -73.33 -23.89 20.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -176.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.29 -28.82 28.84 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.577 HG12 ' O ' ' B' ' 10' ' ' LEU . 5.4 p -68.41 -26.99 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.676 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.477 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 16.1 m-85 -64.93 -44.73 88.52 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.61 -40.58 83.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.296 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.55 -15.46 63.67 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 176.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -95.4 -173.81 3.01 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.0 p -71.05 163.29 27.88 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.278 0.561 . . . . 0.0 112.469 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.531 ' CA ' ' HB2' ' B' ' 23' ' ' ASP . . . 116.77 128.7 4.19 Favored Glycine 0 N--CA 1.415 -2.735 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.068 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -35.14 9.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.93 -78.59 0.51 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.624 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.06 91.38 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 114.579 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.531 ' HB2' ' CA ' ' B' ' 19' ' ' GLY . 9.2 m-20 -78.1 -17.96 56.29 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-N 117.44 0.62 . . . . 0.0 110.185 -173.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -79.12 -24.34 43.46 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.794 0.807 . . . . 0.0 109.943 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -103.07 -40.76 6.34 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.579 0.704 . . . . 0.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 8.8 mmpt? -119.28 94.18 4.34 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.5 mm? -57.67 -34.93 69.91 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -167.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.427 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.2 mptt 80.77 122.82 0.05 OUTLIER 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.364 1.066 . . . . 0.0 109.278 -168.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.498 ' N ' ' HB2' ' B' ' 68' ' ' CYS . 11.7 ptmt -59.35 -18.4 37.96 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.554 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 15.0 m -64.94 -31.58 72.89 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 122.283 -0.261 . . . . 0.0 110.303 173.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.5 -30.9 67.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.244 0.545 . . . . 0.0 109.571 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.478 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -61.22 -30.42 70.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.082 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.3 OUTLIER -59.93 -50.78 72.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.352 175.1 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.13 -34.88 79.46 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 120.972 0.415 . . . . 0.0 111.152 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.433 HD13 ' C ' ' B' ' 35' ' ' LEU . 3.2 tm? -58.03 -55.59 32.94 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.286 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.478 HG12 ' O ' ' B' ' 32' ' ' LEU . 13.7 pt -66.14 -34.68 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -33.13 54.71 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' B' ' 42' ' ' HIS . 6.9 t30 -104.04 -50.06 3.47 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -176.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.96 -32.9 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -74.9 -66.99 0.69 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.053 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -92.66 39.37 1.03 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.137 -172.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' B' ' 38' ' ' ASN . 25.4 t-80 -76.32 90.46 3.19 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 122.183 -0.323 . . . . 0.0 110.365 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 59.84 21.89 10.81 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.577 1.151 . . . . 0.0 111.966 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.32 79.21 1.49 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -103.24 -89.33 0.39 Allowed 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.588 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 103.35 1.78 Allowed 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.52 0.728 . . . . 0.0 112.957 -171.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -135.57 -78.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -154.78 16.09 0.43 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.379 1.071 . . . . 0.0 109.786 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.47 ' O ' HG22 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -97.11 -35.95 10.64 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.39 -174.1 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -54.19 -35.0 61.88 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.48 -48.97 75.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.426 ' CG1' HG12 ' B' ' 80' ' ' VAL . 45.3 t -70.05 -34.38 59.23 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.583 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.406 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' B' ' 57' ' ' MET . 77.5 t -57.77 -42.32 81.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 C-N-CA 123.108 0.563 . . . . 0.0 111.232 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.88 -37.92 79.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.265 0.555 . . . . 0.0 110.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.37 -38.6 87.92 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.927 0.87 . . . . 0.0 109.424 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.63 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 C-N-CA 124.95 1.3 . . . . 0.0 110.528 172.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -64.18 -28.58 69.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -71.48 -61.16 1.87 Allowed 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -60.95 -43.1 99.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 16.6 tp -51.35 -49.46 61.38 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.817 0.847 . . . . 0.0 110.78 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -83.53 -38.12 22.14 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.478 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -65.13 -49.49 69.71 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.434 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.35 -61.42 2.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.686 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.73 80.95 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 O-C-N 123.962 0.789 . . . . 0.0 114.827 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.82 -22.24 63.31 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 122.069 -0.665 . . . . 0.0 110.804 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.61 5.32 75.06 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -173.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.82 -175.12 5.0 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.498 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 7.6 t -157.93 161.29 38.21 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -146.32 170.77 16.11 Favored 'General case' 0 C--N 1.279 -2.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -60.7 -30.18 69.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.93 -39.58 95.02 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.949 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 45.5 mt-10 -75.02 -39.74 60.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.531 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.638 ' O ' HG13 ' B' ' 77' ' ' VAL . 7.6 m-85 -54.91 -46.5 74.86 Favored 'General case' 0 CA--C 1.502 -0.875 0 O-C-N 123.488 0.492 . . . . 0.0 109.788 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.435 ' SD ' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.59 -52.57 60.39 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.466 0.479 . . . . 0.0 110.859 176.739 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.78 -59.26 5.13 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -59.96 -47.66 84.88 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.638 HG13 ' O ' ' B' ' 73' ' ' PHE . 7.3 p -73.73 -35.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.848 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.86 52.94 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.29 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.5 ptm -74.68 -34.3 62.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.761 -0.775 . . . . 0.0 110.896 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.458 HG21 HD13 ' B' ' 40' ' ' LEU . 35.9 m -76.68 -46.64 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.7 m -85.81 -36.91 19.77 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -110.29 -55.48 2.46 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -169.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.48 -59.68 4.15 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 m -75.5 -18.58 59.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.023 0.439 . . . . 0.0 111.624 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.82 -24.44 23.72 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 70.98 156.06 0.15 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.962 1.705 . . . . 0.0 110.917 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.4 -14.89 61.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.91 -48.51 80.14 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.404 1.082 . . . . 0.0 110.045 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -88.58 -16.64 32.02 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.882 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.12 -86.79 0.07 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.897 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 103.953 -2.61 . . . . 0.0 103.953 -170.82 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.44 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 73.1 m . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.78 -49.98 70.81 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-O 121.506 0.67 . . . . 0.0 110.626 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.434 HD21 HD23 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -87.11 -27.81 22.88 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.188 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 39.0 tt0 -54.96 -53.27 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.139 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -65.04 -26.5 68.29 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.356 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -52.02 45.78 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.362 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -64.86 -42.25 95.01 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.57 -42.82 92.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.698 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.33 85.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.588 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.439 HD23 HD21 ' B' ' 3' ' ' LEU . 83.7 mt -53.72 -43.98 69.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.184 0.516 . . . . 0.0 111.155 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 -45.73 24.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.026 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 23.8 t70 -70.93 -31.79 68.5 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.14 -34.32 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -63.7 -42.63 97.94 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.8 t60 -55.09 -38.8 68.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.068 1.347 . . . . 0.0 111.607 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' A' ' 27' ' ' LEU . 5.3 m-85 -66.38 150.73 48.45 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 m -76.6 22.76 0.17 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.42 ' HA3' ' HG ' ' A' ' 27' ' ' LEU . . . -124.88 4.74 8.47 Favored Glycine 0 C--N 1.305 -1.156 0 C-N-CA 119.645 -1.264 . . . . 0.0 111.275 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 5.4 ppt_? -59.18 -21.53 59.58 Favored 'General case' 0 C--O 1.209 -1.057 0 C-N-CA 124.219 1.008 . . . . 0.0 113.059 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.72 -45.6 0.88 Allowed 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.28 -30.08 76.82 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 23.7 t70 -83.77 -94.82 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.041 0.92 . . . . 0.0 112.535 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -117.04 15.64 15.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t60 73.64 12.16 4.59 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -166.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 52.9 mtmt -152.25 173.82 14.54 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 17' ' ' TYR . 6.8 mp -116.9 147.04 42.55 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 118.835 0.743 . . . . 0.0 110.94 -171.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -59.57 154.4 17.59 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 99.2 mttt -65.28 -20.66 66.51 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.117 0.484 . . . . 0.0 111.82 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.3 m -61.48 -29.68 70.13 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 123.53 0.732 . . . . 0.0 110.411 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.37 -29.95 25.83 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.752 0.787 . . . . 0.0 109.217 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.89 -30.2 70.72 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.38 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 30' ' ' SER . 6.2 ttmt -51.63 -54.81 23.84 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.25 1.42 . . . . 0.0 110.725 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.39 -36.33 83.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.241 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 12.2 tp -61.14 -53.11 61.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.947 177.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.0 pt -67.91 -25.93 33.52 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -35.07 66.43 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 174.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -112.46 -67.5 0.99 Allowed 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.275 0.56 . . . . 0.0 112.061 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.276 58.2 mm-40 -87.82 74.13 9.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 123.245 1.498 . . . . 0.0 113.678 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.636 ' HG ' HG23 ' A' ' 77' ' ' VAL . 4.1 tt -128.0 -60.81 1.13 Allowed 'General case' 0 C--N 1.269 -2.913 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 171.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -169.96 47.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.715 1.606 . . . . 0.0 107.553 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 m80 73.5 -71.81 0.13 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.638 1.175 . . . . 0.0 112.217 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.52 -79.83 0.47 Allowed 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.374 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 73.2 mt 63.28 90.95 0.08 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.501 1.12 . . . . 0.0 109.966 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -133.59 5.77 3.72 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.77 1.67 4.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -168.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.637 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 3.1 mp -100.36 -72.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 118.384 -1.326 . . . . 0.0 110.274 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 1.7 tmmm? -153.22 -29.04 0.14 Allowed 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.439 0.638 . . . . 0.0 109.577 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.637 ' OE1' ' HB ' ' A' ' 47' ' ' ILE . 2.9 pm0 -55.55 -27.36 48.56 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.191 1.797 . . . . 0.0 112.647 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -28.05 13.66 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.671 0.788 . . . . 0.0 112.92 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.54 -53.72 6.6 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.96 -37.47 79.87 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.271 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.608 ' O ' ' HG2' ' A' ' 57' ' ' MET . 73.1 t -56.47 -40.81 70.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 123.393 0.433 . . . . 0.0 110.572 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.52 -46.37 69.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.455 0.645 . . . . 0.0 109.784 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -62.96 -36.43 83.45 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.301 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.0 t -63.52 -47.16 92.8 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.578 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.131 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.608 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.0 mmt -58.76 -33.33 70.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.153 0.433 . . . . 0.0 112.144 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.77 -59.93 2.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.939 0.399 . . . . 0.0 110.396 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 p -61.65 -41.73 97.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.418 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.9 tp -53.42 -51.03 63.92 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 125.247 1.419 . . . . 0.0 109.84 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.34 -40.64 73.97 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.14 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -76.99 -48.26 18.47 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.597 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -82.58 -33.52 28.03 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 123.175 0.59 . . . . 0.0 112.508 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.63 49.48 4.19 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.961 -0.638 . . . . 0.0 114.649 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.44 -25.61 31.06 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.597 0.713 . . . . 0.0 109.76 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.53 -63.99 1.4 Allowed Glycine 0 N--CA 1.432 -1.577 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.461 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -172.09 178.12 3.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.555 0.342 . . . . 0.0 110.663 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 49.1 t -131.72 120.78 23.2 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 173.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.05 168.1 11.62 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -66.15 -24.6 66.69 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.379 0.609 . . . . 0.0 109.608 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.62 -37.99 88.14 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.045 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 42.0 mt-10 -83.53 -27.06 29.6 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.752 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -54.54 -53.42 54.68 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 172.266 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -46.92 88.65 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.201 174.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -52.33 -56.19 16.49 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.54 -176.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.472 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 71.7 m-85 -62.69 -46.05 89.92 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.636 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.6 p -70.03 -30.78 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.798 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.3 -39.86 31.84 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.515 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.472 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 27.5 ptm -68.68 -36.97 79.21 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 40' ' ' LEU . 27.8 m -65.35 -31.97 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.513 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -78.67 -23.67 45.55 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.057 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -116.12 -88.16 0.59 Allowed 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.981 -0.449 . . . . 0.0 112.138 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.78 76.61 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.489 1.516 . . . . 0.0 113.857 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -169.36 -57.27 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -155.4 -70.91 0.12 Allowed 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -166.278 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' B' ' 4' ' ' GLU . 74.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.42 ' HA ' ' HE3' ' B' ' 5' ' ' LYS . 16.6 tp10 -65.53 -50.34 65.59 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.413 0.625 . . . . 0.0 110.787 -175.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.439 HD21 HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -85.6 -28.72 24.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -176.61 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' B' ' 1' ' ' SER . 42.4 tt0 -55.06 -53.6 53.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.933 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 2' ' ' GLU . 23.1 pttp -67.95 -20.61 65.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.585 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -52.04 18.52 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.183 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.36 -43.32 94.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.88 -43.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.727 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.29 87.08 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.654 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.434 HD23 HD21 ' A' ' 3' ' ' LEU . 84.9 mt -53.23 -43.56 67.39 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.174 0.511 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.65 -45.33 23.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.899 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 21.3 t70 -67.21 -35.46 79.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.09 -34.6 64.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -63.84 -42.52 97.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 6.2 t60 -55.0 -39.34 68.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.764 1.225 . . . . 0.0 111.356 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 -40.49 97.77 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.447 ' HB3' HD21 ' B' ' 27' ' ' LEU . 5.9 m-85 -66.56 149.77 49.98 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -74.32 11.56 0.94 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -170.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.428 ' HA3' ' HG ' ' B' ' 27' ' ' LEU . . . -111.91 3.28 27.26 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 119.716 -1.23 . . . . 0.0 111.613 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' B' ' 20' ' ' ARG . 6.1 ppt_? -58.16 -19.21 31.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.293 1.037 . . . . 0.0 113.411 -176.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -133.08 -50.15 0.87 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.083 0.468 . . . . 0.0 109.826 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.36 -35.89 89.63 Favored Glycine 0 C--N 1.314 -0.663 0 N-CA-C 115.717 1.047 . . . . 0.0 115.717 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.564 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 19.6 t70 -78.03 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.849 0.825 . . . . 0.0 112.476 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -125.86 22.28 7.45 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 t60 68.04 13.5 9.13 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 51.0 mtmt -153.87 173.21 16.23 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 17' ' ' TYR . 6.8 mp -117.42 147.2 42.9 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 118.843 0.747 . . . . 0.0 110.476 -171.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -60.99 158.39 13.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 99.4 mttt -67.71 -22.87 65.24 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -177.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 2.3 p -62.55 -26.68 68.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.611 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.08 -30.47 25.99 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.772 0.796 . . . . 0.0 109.316 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.573 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.33 -29.29 70.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.58 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' B' ' 30' ' ' SER . 7.8 ttmt -51.49 -55.38 19.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.235 1.414 . . . . 0.0 110.734 175.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.17 -32.95 74.89 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.769 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 14.2 tp -65.64 -50.54 64.6 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.611 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 32' ' ' LEU . 9.2 pt -69.11 -24.82 28.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -39.65 64.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.417 173.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -113.41 -65.37 1.19 Allowed 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.403 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.272 60.0 mm-40 -88.55 74.6 8.47 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 123.128 1.442 . . . . 0.0 113.511 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' B' ' 77' ' ' VAL . 4.0 tt -129.72 -59.44 1.07 Allowed 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 103.318 -2.845 . . . . 0.0 103.318 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -171.22 47.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.663 1.585 . . . . 0.0 107.877 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.21 -73.42 0.1 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.396 1.078 . . . . 0.0 112.611 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.36 -78.0 0.52 Allowed 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.434 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.503 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 68.3 mt 61.18 95.22 0.04 OUTLIER 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.445 1.09 . . . . 0.0 110.463 -172.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -140.94 5.75 1.96 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.695 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -129.07 -6.72 4.91 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.558 ' HB ' ' OE1' ' B' ' 49' ' ' GLU . 3.1 mp -96.59 -77.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.934 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.496 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 1.7 tmmm? -148.53 -27.94 0.31 Allowed 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.883 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.558 ' OE1' ' HB ' ' B' ' 47' ' ' ILE . 3.3 pm0 -55.45 -24.3 30.09 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 125.56 1.544 . . . . 0.0 112.068 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -27.69 17.68 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.571 0.749 . . . . 0.0 112.751 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.13 -53.83 6.05 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.2 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.147 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' B' ' 57' ' ' MET . 74.1 t -56.08 -42.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 O-C-N 123.348 0.405 . . . . 0.0 110.272 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.3 -44.22 84.07 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.397 0.617 . . . . 0.0 110.853 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.91 -36.23 81.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.134 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.7 t -61.95 -47.14 94.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.561 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.21 172.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -58.32 -33.6 69.68 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.79 -58.5 4.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.111 0.481 . . . . 0.0 111.269 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 p -63.87 -39.79 95.03 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.044 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.5 tp -53.22 -53.2 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 125.248 1.419 . . . . 0.0 110.028 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.72 -41.87 74.74 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.692 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -74.81 -49.69 19.84 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.83 -36.36 42.64 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.13 40.42 2.53 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -77.79 -23.93 49.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.711 0.767 . . . . 0.0 109.638 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.93 -62.29 1.85 Allowed Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -176.67 175.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.473 0.709 . . . . 0.0 110.264 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 44.5 t -130.49 123.41 29.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.35 167.72 11.01 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.537 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -64.3 -25.87 68.23 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.13 -38.76 92.21 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.258 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 75' ' ' ALA . 41.8 mt-10 -84.97 -25.88 27.49 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.272 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.604 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -54.87 -53.05 60.38 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -47.02 88.36 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.158 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' B' ' 72' ' ' GLU . . . -52.39 -55.78 19.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.633 0.583 . . . . 0.0 112.47 -176.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.489 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 71.5 m-85 -62.79 -45.63 91.75 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.627 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.4 p -70.5 -30.25 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.9 0.381 . . . . 0.0 111.736 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.83 -39.58 30.4 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.724 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.489 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 27.8 ptm -70.14 -36.66 74.9 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.598 HG21 HD11 ' B' ' 40' ' ' LEU . 28.1 m -65.36 -31.02 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.461 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.4 m -79.0 -25.66 43.33 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.051 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.8 p -113.89 -87.94 0.56 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.913 -0.492 . . . . 0.0 112.009 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.54 76.43 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.545 1.538 . . . . 0.0 113.665 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.4 p -167.52 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -148.95 -71.64 0.2 Allowed 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 123.615 0.766 . . . . 0.0 112.629 175.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.475 ' HB3' ' CD ' ' B' ' 39' ' ' GLU . 24.7 m . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 5.9 tp10 -63.31 -47.14 83.5 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.112 0.565 . . . . 0.0 111.177 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.704 ' HG ' ' CZ ' ' B' ' 73' ' ' PHE . 2.8 tm? -70.61 -36.19 73.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 1' ' ' SER . 3.3 tm-20 -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.679 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 2' ' ' GLU . 45.1 mtpt -62.53 -52.35 63.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.561 0.696 . . . . 0.0 109.624 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -59.85 -50.35 74.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.275 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.38 -45.71 80.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.793 0.437 . . . . 0.0 111.891 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -31.46 52.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.71 93.44 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 6' ' ' ALA . 6.6 mp -57.11 -49.07 77.03 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.043 0.449 . . . . 0.0 111.592 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 pt -73.06 -36.82 51.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.62 -37.76 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.76 -29.05 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.992 0.901 . . . . 0.0 108.753 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 68' ' ' CYS . 39.6 t80 -85.42 9.25 16.17 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.855 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.481 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 24.3 t60 -114.0 -46.03 3.03 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -56.54 -50.21 72.53 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.677 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -78.73 125.99 30.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 111.153 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 65.23 41.33 4.48 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-N 114.249 -1.341 . . . . 0.0 107.79 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.86 75.04 0.32 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 113.795 -1.548 . . . . 0.0 113.204 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 6.7 ppt_? -162.3 -34.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 126.399 1.88 . . . . 0.0 106.523 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 34.4 tt0 -105.71 -44.78 4.57 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 15' ' ' HIS . . . -74.33 -4.9 70.45 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.14 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t70 -114.59 36.06 3.97 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -160.64 -56.55 0.05 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.629 -0.67 . . . . 0.0 112.259 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -144.96 21.83 1.59 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 109.568 -173.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 6.3 mmpt? 66.68 173.97 0.25 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.61 -171.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD12 ' OE2' ' A' ' 21' ' ' GLU . 52.9 tp -111.58 149.0 32.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -171.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -73.59 156.57 37.94 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.214 179.385 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 20.9 ptmt -65.19 -24.33 67.34 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.622 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' OG ' ' HA2' ' A' ' 64' ' ' GLY . 10.4 m -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.178 0.513 . . . . 0.0 110.268 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.51 -19.61 30.92 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.388 0.613 . . . . 0.0 109.869 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.3 tm? -62.12 -23.6 66.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.329 1.052 . . . . 0.0 108.736 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 34' ' ' GLU . 1.5 tmmt? -50.38 -50.14 52.37 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.559 1.144 . . . . 0.0 111.122 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.5 mt-10 -70.15 -29.15 65.99 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.539 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -70.87 -42.75 69.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -67.83 -32.3 55.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.355 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 91.5 m-20 -58.13 -31.65 67.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.867 0.365 . . . . 0.0 111.684 174.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -92.74 -39.23 11.37 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 44.3 mm-40 -96.5 -26.14 15.4 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 77' ' ' VAL . 1.9 tm? -111.44 -53.71 2.68 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.39 0.614 . . . . 0.0 110.233 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 14.8 m -78.02 165.09 24.45 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 73.04 0.86 3.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.718 1.207 . . . . 0.0 110.259 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 -58.46 0.95 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.38 90.65 6.34 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.19 -19.77 12.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -131.69 82.84 2.05 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.403 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mt -138.44 -84.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.184 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.11 25.04 0.42 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 -176.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -98.64 -11.52 21.97 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.478 -1.237 . . . . 0.0 113.705 -172.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -55.83 -39.84 71.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.86 -50.41 9.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.069 0.937 . . . . 0.0 109.873 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.22 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.367 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 57' ' ' MET . 65.8 t -55.63 -41.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 123.155 0.285 . . . . 0.0 111.171 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.87 -43.16 89.16 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.73 0.776 . . . . 0.0 110.269 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG22 ' HD1' ' A' ' 76' ' ' PHE . 16.8 t -67.3 -43.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 124.077 0.951 . . . . 0.0 111.152 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.1 mmt -64.32 -32.9 74.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.063 0.458 . . . . 0.0 110.079 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.57 -56.16 8.09 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.75 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -58.81 -41.98 88.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.48 -41.32 80.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.57 -38.37 62.69 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.6 -57.93 4.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.101 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.42 -60.92 2.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' HA2' ' OG ' ' A' ' 30' ' ' SER . . . 74.47 -68.47 1.8 Allowed Glycine 0 C--O 1.251 1.213 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.642 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 67.34 -59.69 0.39 Allowed 'General case' 0 C--O 1.238 0.468 0 C-N-CA 127.003 2.121 . . . . 0.0 113.898 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.29 -33.5 2.36 Favored Glycine 0 C--N 1.285 -2.269 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.0 pt-20 -149.67 156.28 41.62 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 72' ' ' GLU . 13.0 t -102.66 127.95 49.55 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.29 161.56 28.0 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.408 ' HE1' ' HA ' ' B' ' 75' ' ' ALA . 51.8 p90 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.428 0.633 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -70.8 -29.27 65.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.953 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.631 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 8.3 mm-40 -64.14 -52.75 57.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.427 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.678 ' CZ ' ' HG ' ' B' ' 3' ' ' LEU . 0.9 OUTLIER -58.88 -45.57 89.89 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.408 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 tpt -54.13 -51.11 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.796 0.685 . . . . 0.0 110.849 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -49.53 75.09 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.554 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' HD1' HG22 ' A' ' 56' ' ' VAL . 71.9 m-85 -62.11 -49.52 75.56 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 73' ' ' PHE . 6.6 p -68.53 -35.92 72.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.054 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.08 63.52 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.861 -0.525 . . . . 0.0 111.428 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.273 22.9 ptt? -79.17 -23.12 44.13 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 118.655 -1.218 . . . . 0.0 112.593 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 40' ' ' LEU . 27.5 m -79.03 -41.98 23.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.125 173.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.1 m -73.84 -32.97 63.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.381 0.61 . . . . 0.0 111.66 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -122.08 -58.15 1.74 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.739 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 73.31 143.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.556 1.142 . . . . 0.0 112.781 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.4 m 49.13 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.164 1.386 . . . . 0.0 112.871 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -152.95 52.09 0.75 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 CA--C 1.553 1.083 0 CA-C-O 121.798 0.808 . . . . 0.0 110.983 -178.52 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 37.7 mt-10 . . . . . 0 C--O 1.271 2.207 0 O-C-N 124.767 1.292 . . . . 0.0 108.261 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.434 ' HB3' ' CD ' ' A' ' 39' ' ' GLU . 26.3 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.62 -48.14 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.331 0.586 . . . . 0.0 110.237 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.678 ' HG ' ' CZ ' ' A' ' 73' ' ' PHE . 2.8 tm? -69.03 -31.97 71.15 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.608 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.07 -40.86 95.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.343 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.74 -47.74 71.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.554 0.693 . . . . 0.0 109.803 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.448 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -64.06 -51.66 63.03 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.214 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.06 -47.14 78.48 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.902 0.481 . . . . 0.0 111.951 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.81 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.958 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.42 91.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.416 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 6' ' ' ALA . 6.5 mp -57.37 -48.2 79.66 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.2 pt -73.77 -35.99 45.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.48 -38.43 55.33 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.21 -29.95 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 122.024 0.916 . . . . 0.0 108.611 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' B' ' 68' ' ' CYS . 40.9 t80 -85.26 9.46 15.17 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.953 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.511 ' HA ' ' O ' ' B' ' 22' ' ' GLY . 22.5 t60 -114.32 -45.21 3.05 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 173.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -56.49 -52.02 66.3 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.226 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -76.3 129.23 36.34 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.846 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.4 m 61.08 42.11 12.89 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 124.403 1.064 . . . . 0.0 108.863 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.68 69.23 0.57 Allowed Glycine 0 C--N 1.341 0.84 0 CA-C-N 113.796 -1.547 . . . . 0.0 113.336 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -156.81 -33.8 0.08 Allowed 'General case' 0 C--N 1.282 -2.342 0 C-N-CA 126.078 1.751 . . . . 0.0 107.249 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 34.9 tt0 -105.2 -44.86 4.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 172.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' B' ' 15' ' ' HIS . . . -73.12 -6.76 69.54 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.054 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 20.7 t70 -107.95 19.91 19.42 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.686 1.194 . . . . 0.0 108.491 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -147.19 -54.0 0.22 Allowed 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.623 -0.673 . . . . 0.0 112.188 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -145.04 24.13 1.48 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.468 0.651 . . . . 0.0 109.266 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 6.5 mmpt? 65.4 175.9 0.21 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.309 -171.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.442 HD12 ' OE2' ' B' ' 21' ' ' GLU . 50.2 tp -112.53 149.02 33.27 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -172.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.41 ' HD2' ' OE2' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -72.57 157.0 38.41 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 120.084 -0.647 . . . . 0.0 112.012 178.701 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' B' ' 32' ' ' LEU . 21.3 ptmt -67.27 -24.32 65.77 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.825 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.525 ' OG ' ' HA2' ' B' ' 64' ' ' GLY . 7.5 m -67.61 -31.22 71.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.186 0.517 . . . . 0.0 110.229 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.2 -22.35 28.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.395 0.617 . . . . 0.0 109.712 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.438 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -59.51 -23.44 62.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.347 1.059 . . . . 0.0 108.955 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.575 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 1.5 tmmt? -49.98 -48.01 52.54 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.908 1.283 . . . . 0.0 111.025 174.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.575 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 48.8 mt-10 -74.81 -24.96 58.72 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.888 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -74.82 -42.85 57.26 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.438 HG12 ' O ' ' B' ' 32' ' ' LEU . 4.4 pt -67.21 -30.93 50.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.397 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -57.94 -33.54 68.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -94.73 -31.83 13.61 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 46.9 mm-40 -100.89 -23.25 14.6 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.564 HD23 HG23 ' B' ' 77' ' ' VAL . 1.8 tm? -115.12 -55.31 2.48 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -77.77 164.88 24.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 75.12 -0.15 3.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.99 1.316 . . . . 0.0 110.092 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.39 -61.31 0.92 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.584 0.754 . . . . 0.0 108.973 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.57 86.07 5.49 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -106.77 -20.97 13.18 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -129.72 88.39 2.67 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.243 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mt -140.15 -87.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.897 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.17 23.41 0.74 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.439 ' HB2' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -96.51 -11.38 25.56 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.481 -1.236 . . . . 0.0 114.179 -171.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.07 -41.42 75.1 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -173.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.41 -45.45 16.06 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.135 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.509 -171.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' B' ' 57' ' ' MET . 85.6 t -56.18 -40.88 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.86 -44.11 94.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.609 0.242 . . . . 0.0 111.002 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -64.13 -34.96 79.25 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.792 0.806 . . . . 0.0 109.687 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.429 HG22 ' HD1' ' B' ' 76' ' ' PHE . 19.8 t -67.77 -42.9 86.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.978 176.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -68.33 -26.02 65.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.68 0.752 . . . . 0.0 109.974 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.99 -59.05 2.94 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.877 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -59.14 -42.4 90.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.59 -41.52 77.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.94 -35.0 57.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.42 -55.49 8.92 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.199 -0.909 . . . . 0.0 113.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.89 -63.65 1.1 Allowed 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.525 ' HA2' ' OG ' ' B' ' 30' ' ' SER . . . 75.35 -65.02 2.42 Favored Glycine 0 C--O 1.248 1.004 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.751 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.92 -59.48 0.24 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 127.237 2.215 . . . . 0.0 114.638 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.38 -36.71 1.92 Allowed Glycine 0 C--N 1.285 -2.288 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -147.79 155.36 41.59 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' B' ' 72' ' ' GLU . 17.3 t -100.99 130.9 47.05 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.76 160.33 26.24 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -63.79 -29.62 70.8 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.445 0.641 . . . . 0.0 109.596 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -69.14 -30.28 68.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.044 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.644 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 13.9 mm-40 -64.59 -52.79 55.73 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.704 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -58.42 -46.72 85.91 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.78 -50.26 66.48 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.763 0.664 . . . . 0.0 110.727 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.408 ' HA ' ' HE1' ' A' ' 70' ' ' PHE . . . -62.57 -49.5 75.04 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.98 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.429 ' HD1' HG22 ' B' ' 56' ' ' VAL . 70.7 m-85 -62.79 -49.08 76.37 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.642 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -68.55 -35.64 71.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.93 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.38 -37.92 63.31 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.538 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' B' ' 83' ' ' ALA 0.271 24.0 ptt? -77.09 -22.81 52.2 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 118.812 -1.155 . . . . 0.0 112.652 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.454 HG21 HD11 ' B' ' 40' ' ' LEU . 27.7 m -78.5 -40.94 24.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.059 173.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.3 m -74.83 -33.28 62.14 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.277 0.561 . . . . 0.0 111.746 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.9 m -122.03 -60.35 1.58 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.699 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 74.15 141.38 0.06 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.549 1.139 . . . . 0.0 112.667 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.85 -93.73 0.03 OUTLIER 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.194 1.398 . . . . 0.0 112.618 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -155.76 49.0 0.52 Allowed 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 CA--C 1.563 1.477 0 CA-C-O 121.861 0.839 . . . . 0.0 110.558 -178.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -87.16 -44.49 11.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.944 0.402 . . . . 0.0 110.028 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.38 80.52 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 35.3 tt0 -55.46 -52.91 62.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.28 -40.74 82.72 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 123.624 0.577 . . . . 0.0 110.75 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -60.11 -47.79 84.42 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.398 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -66.14 -48.9 69.28 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.846 0.355 . . . . 0.0 110.371 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.58 -34.01 67.49 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.658 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.55 96.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.765 0.257 . . . . 0.0 110.505 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 94.4 mt -58.73 -42.2 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.296 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 pt -86.04 -25.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 38.2 t70 -80.91 -33.82 33.9 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.653 -0.654 . . . . 0.0 111.866 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.53 -34.54 70.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 172.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.64 -41.28 92.8 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.658 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 43.1 t60 -57.7 -46.97 83.64 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.756 1.222 . . . . 0.0 110.439 173.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 96.8 mt-30 -63.01 -40.65 98.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.912 0.485 . . . . 0.0 111.22 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.92 3.29 8.5 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.909 0.385 . . . . 0.0 111.746 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m 62.81 22.84 13.63 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 124.616 1.166 . . . . 0.0 113.328 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.75 55.52 4.89 Favored Glycine 0 C--O 1.202 -1.874 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.56 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.6 -59.67 1.99 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.64 93.62 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.968 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -93.64 171.14 9.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.67 71.47 5.14 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.376 0.608 . . . . 0.0 110.654 -171.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 73.08 -17.68 0.4 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.108 1.763 . . . . 0.0 112.003 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HD2' ' HB3' ' A' ' 69' ' ' ASP . 22.8 mtmt -152.26 162.43 41.15 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -95.75 142.23 28.28 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HD3' ' HG2' ' A' ' 67' ' ' GLU . 42.1 mmtm -59.45 136.33 57.94 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 173.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HE3' ' OD1' ' A' ' 63' ' ' ASP . 66.0 mttm -56.31 -36.24 68.46 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.665 -177.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.591 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 38.3 m -58.79 -30.71 67.79 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.58 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.61 -16.82 38.01 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -61.07 -22.46 64.63 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.591 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.76 -42.97 72.32 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.973 171.511 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.53 -44.2 97.49 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 122.077 0.941 . . . . 0.0 109.371 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 1.3 tm? -60.44 -57.07 14.31 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 113.515 -1.675 . . . . 0.0 109.469 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 40' ' ' LEU . 12.3 pt -61.9 -34.68 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -64.44 -51.5 62.8 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.611 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -109.55 -71.13 0.77 Allowed 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -90.05 69.05 7.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.54 1.162 . . . . 0.0 110.984 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 36' ' ' ILE . 10.1 tt -139.14 -74.93 0.37 Allowed 'General case' 0 C--N 1.281 -2.381 0 CA-C-N 113.224 -1.807 . . . . 0.0 106.499 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 m 178.18 170.64 0.74 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -125.1 26.85 6.84 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-O 121.862 0.839 . . . . 0.0 109.275 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 75.98 131.8 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.972 -1.922 . . . . 0.0 113.565 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -116.49 -80.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -170.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.96 -43.6 5.73 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.286 0.565 . . . . 0.0 110.136 -174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 81' ' ' THR . 1.0 OUTLIER -85.17 117.57 24.2 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.444 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 mm -115.91 85.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 121.926 0.869 . . . . 0.0 109.14 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -119.32 12.18 12.44 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.452 1.12 . . . . 0.0 109.952 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.67 -44.17 87.08 Favored 'General case' 0 C--N 1.265 -3.065 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.515 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.48 -42.62 61.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -82.82 -48.51 10.7 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.282 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -72.25 -29.35 31.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 91.9 t -68.85 -31.17 49.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.617 0.722 . . . . 0.0 109.69 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.0 -41.34 62.02 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -65.23 -37.08 86.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.582 HG23 ' CD1' ' A' ' 76' ' ' PHE . 10.5 p -64.24 -33.64 63.88 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.084 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.4 mmt -65.62 -37.84 87.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.048 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -69.26 -61.37 1.82 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.069 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -55.51 -40.05 71.28 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 tp -54.85 -40.99 70.23 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.72 0.637 . . . . 0.0 111.843 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.46 -38.77 11.25 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.527 0.679 . . . . 0.0 111.313 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -64.48 -26.0 68.24 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.029 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.561 ' OD1' ' HE3' ' A' ' 29' ' ' LYS . 17.2 t70 -52.9 -41.11 64.08 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.19 0.519 . . . . 0.0 110.566 176.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.53 -33.25 4.65 Favored Glycine 0 C--N 1.319 -0.379 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -52.35 -54.56 30.14 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.313 0.557 . . . . 0.0 112.501 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' H ' ' HE2' ' A' ' 29' ' ' LYS . . . 113.99 -36.34 4.06 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.863 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' HD3' ' A' ' 28' ' ' LYS . 36.5 mt-10 -111.5 144.99 39.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 117.89 0.845 . . . . 0.0 111.165 -175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.556 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 8.9 t -126.42 143.25 51.25 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.699 0.799 . . . . 0.0 108.874 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.627 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.3 p30 -138.24 -179.97 6.1 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.387 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -44.0 -34.88 1.86 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.402 1.881 . . . . 0.0 114.304 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -63.45 -45.2 91.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.373 0.606 . . . . 0.0 110.68 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 51.7 mt-10 -74.9 -31.97 61.7 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.543 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 77' ' ' VAL . 5.5 m-85 -55.94 -49.13 74.38 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -52.37 59.53 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.169 0.918 . . . . 0.0 110.565 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.44 -51.47 69.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.404 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CD1' HG23 ' A' ' 56' ' ' VAL . 52.0 m-85 -63.64 -49.15 74.39 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.346 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 73' ' ' PHE . 13.6 p -64.36 -36.93 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.31 72.46 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.506 ' HA ' ' HA ' ' A' ' 83' ' ' ALA 0.262 24.5 ptt? -79.41 -33.32 42.73 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 117.645 -1.622 . . . . 0.0 113.327 -178.454 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.55 -39.28 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.39 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 9.5 m -85.73 -65.58 1.0 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.553 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -87.61 -35.09 18.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.229 -170.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 79' ' ' MET . . . 65.89 25.76 11.14 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.019 1.327 . . . . 0.0 111.035 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.2 m 72.28 -37.47 0.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.817 1.647 . . . . 0.0 114.477 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -97.65 50.15 1.04 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.811 -0.556 . . . . 0.0 112.17 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.275 8.0 mm-40 . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 41.2 t-80 . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 4.4 mm-40 . . . . . 0 C--O 1.256 1.412 0 C-N-CA 129.996 3.319 . . . . 0.0 103.793 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.542 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.86 -45.79 18.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.039 0.447 . . . . 0.0 109.96 -171.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -35.99 81.37 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 1' ' ' SER . 33.4 tt0 -54.57 -53.0 60.33 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 126.042 1.737 . . . . 0.0 111.157 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.414 ' HA ' HG12 ' B' ' 8' ' ' VAL . 52.4 mtmt -59.76 -42.1 92.49 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 123.779 0.674 . . . . 0.0 110.677 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.13 84.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -66.01 -47.16 75.39 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.891 0.376 . . . . 0.0 110.197 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 5' ' ' LYS . 14.8 p -66.75 -36.19 76.63 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.801 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.5 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -60.86 -41.99 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.005 0.366 . . . . 0.0 110.795 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.22 -42.75 95.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.323 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.63 -25.54 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 30.2 t70 -76.96 -37.42 55.28 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 122.082 -0.386 . . . . 0.0 111.413 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -65.08 -42.37 94.18 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.421 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 29.8 t60 -57.55 -46.73 83.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.834 1.254 . . . . 0.0 110.656 173.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 96.7 mt-30 -64.22 -39.48 94.06 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.902 0.481 . . . . 0.0 111.304 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.09 3.3 8.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.147 0.498 . . . . 0.0 111.628 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.3 m 61.92 25.79 15.53 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.971 1.308 . . . . 0.0 112.965 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.12 52.94 4.7 Favored Glycine 0 C--O 1.205 -1.685 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.45 -35.84 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -107.07 -58.32 1.96 Allowed 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.32 -51.99 52.6 Favored Glycine 0 CA--C 1.501 -0.826 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.688 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.84 173.77 9.19 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 72.21 8.01 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.207 0.527 . . . . 0.0 110.557 -171.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 72.59 -16.88 0.42 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.891 1.676 . . . . 0.0 111.9 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.625 ' HD2' ' HB3' ' B' ' 69' ' ' ASP . 26.2 mtmt -154.03 161.54 41.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 -177.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.1 142.52 27.46 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 118.308 0.504 . . . . 0.0 109.815 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HD3' ' HG2' ' B' ' 67' ' ' GLU . 42.5 mmtm -58.65 137.27 57.64 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.356 173.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.53 ' HG2' ' HB2' ' B' ' 68' ' ' CYS . 63.3 mttm -58.43 -36.46 73.68 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.692 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.629 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 20.6 m -59.18 -29.57 67.56 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.578 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -85.4 -17.02 37.89 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 35' ' ' LEU . 3.3 tm? -61.01 -22.83 64.91 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.629 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.69 -41.31 70.1 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.956 171.749 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.751 0.786 . . . . 0.0 110.096 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.485 ' HG ' ' CE2' ' B' ' 73' ' ' PHE . 1.4 tm? -59.91 -55.61 32.02 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.362 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.02 -35.53 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.88 -37.5 73.02 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -115.03 -76.3 0.58 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -85.56 67.0 9.95 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 122.509 1.147 . . . . 0.0 111.733 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tt -136.26 -70.97 0.46 Allowed 'General case' 0 C--N 1.279 -2.491 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 173.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.2 t 169.66 177.84 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -128.41 28.72 5.42 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.715 0.769 . . . . 0.0 110.077 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 75.2 125.79 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.269 168.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.84 -84.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.07 -43.14 7.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.828 0.823 . . . . 0.0 110.436 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.57 111.72 18.82 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.28 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.491 0.662 . . . . 0.0 109.246 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -120.01 5.93 10.85 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.209 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -43.78 88.34 Favored 'General case' 0 C--N 1.273 -2.756 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -49.99 -44.77 51.12 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.47 -46.71 12.17 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.058 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.98 -31.31 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' B' ' 57' ' ' MET . 98.6 t -67.4 -30.46 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 122.046 0.927 . . . . 0.0 109.323 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.43 -44.02 63.01 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.875 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -66.92 -33.87 76.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.435 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' B' ' 76' ' ' PHE . 11.2 p -64.98 -35.11 74.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -65.7 -30.61 71.31 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.296 0.57 . . . . 0.0 110.25 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.16 -61.29 2.05 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.01 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 p -54.72 -39.54 68.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 tp -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.281 0.562 . . . . 0.0 112.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -98.6 -32.75 11.27 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.449 0.643 . . . . 0.0 111.24 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.72 -26.15 62.36 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.915 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.493 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 17.4 t70 -53.23 -45.8 68.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.176 0.512 . . . . 0.0 109.858 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.55 -27.43 12.22 Favored Glycine 0 C--O 1.238 0.348 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.21 -49.26 69.83 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 117.504 0.652 . . . . 0.0 112.261 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.37 -32.51 6.94 Favored Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.651 -0.785 . . . . 0.0 114.213 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.508 ' HG2' ' HD3' ' B' ' 28' ' ' LYS . 46.9 mt-10 -116.76 139.72 50.25 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 118.037 0.919 . . . . 0.0 111.378 -175.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.53 ' HB2' ' HG2' ' B' ' 29' ' ' LYS . 8.9 t -120.86 145.24 47.83 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.625 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 2.9 p30 -139.87 179.09 6.8 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -44.62 -34.28 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.061 1.744 . . . . 0.0 114.884 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -63.74 -44.34 93.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.419 0.628 . . . . 0.0 109.922 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 46.7 mt-10 -75.58 -32.68 60.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.583 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.554 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.7 m-85 -55.55 -48.31 74.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -52.51 62.34 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.254 0.971 . . . . 0.0 110.55 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.99 -52.19 66.55 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.211 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.589 ' CD1' HG23 ' B' ' 56' ' ' VAL . 53.9 m-85 -63.38 -50.15 71.04 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.496 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.554 HG12 ' O ' ' B' ' 73' ' ' PHE . 14.1 p -63.62 -37.42 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.667 0.27 . . . . 0.0 111.467 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.35 71.88 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.264 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' B' ' 83' ' ' ALA . 26.0 ptt? -79.65 -32.9 41.63 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 117.799 -1.56 . . . . 0.0 113.119 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -67.58 -39.52 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.329 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 10.0 m -85.84 -66.15 0.93 Allowed 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.462 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -88.68 -31.54 18.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.388 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 79' ' ' MET . . . 63.27 27.62 15.51 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.642 1.177 . . . . 0.0 111.058 -175.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m 69.06 -27.66 0.15 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.635 1.574 . . . . 0.0 115.218 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -101.82 27.71 6.26 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.269 14.8 mm-40 . . . . . 0 C--N 1.313 -0.997 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 3.0 m . . . . . 0 C--O 1.241 0.655 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -74.33 -51.68 14.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -170.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' B' ' 39' ' ' GLU . 1.1 tm? -68.78 -34.92 76.38 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 29.3 tt0 -52.6 -56.11 17.67 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.613 1.565 . . . . 0.0 111.933 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -24.25 67.62 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.37 -42.89 71.19 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.507 ' SD ' HG22 ' B' ' 77' ' ' VAL . 51.4 ttp -63.14 -41.51 99.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.028 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.6 t -59.37 -44.81 93.32 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.997 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.127 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 92.4 mt -59.19 -44.0 92.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.665 0.269 . . . . 0.0 111.247 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -80.22 -32.15 13.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 16.5 t70 -72.43 -31.11 65.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.628 0.727 . . . . 0.0 110.75 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.03 -39.41 79.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.82 -49.35 78.05 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.057 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.531 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 10.1 t60 -44.7 -45.46 9.81 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.77 2.028 . . . . 0.0 112.365 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.73 -47.16 76.26 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.512 ' OH ' ' HG2' ' A' ' 24' ' ' LYS 0.315 1.8 p90 36.69 -128.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.034 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 m -157.79 -60.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.754 0.422 . . . . 0.0 110.847 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.47 116.5 4.28 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.175 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -21.47 66.35 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -101.76 -56.4 2.29 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.676 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.05 -54.03 8.59 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.751 -0.659 . . . . 0.0 114.217 -174.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -78.56 -17.73 55.69 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.352 0.596 . . . . 0.0 111.071 -173.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 5.1 tmtm? -71.83 -41.76 67.8 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.6 -56.15 15.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.758 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 48.4 mtmt -145.31 153.5 41.33 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.13 -41.18 74.28 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.642 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER 73.93 134.24 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.81 1.244 . . . . 0.0 111.697 -173.763 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' HG ' ' A' ' 60' ' ' LEU . 13.9 mptt -62.73 -36.97 84.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 3.9 m -59.41 -35.01 73.18 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.871 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -85.58 -22.21 28.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.639 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.21 -29.94 70.74 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.6 tmmt? -55.78 -46.23 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 173.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -76.11 -30.7 58.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.14 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -51.45 69.92 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 32' ' ' LEU . 18.2 pt -68.25 -40.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -51.14 -37.3 45.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.79 -46.43 4.7 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.786 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -93.14 -15.61 25.81 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -173.003 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 3.7 tt -79.74 -65.07 1.05 Allowed 'General case' 0 C--O 1.204 -1.321 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -165.06 146.88 7.82 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -103.22 -58.34 1.89 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.537 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.51 52.38 1.53 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.891 0.853 . . . . 0.0 113.123 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.39 30.06 7.4 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HA ' ' CD ' ' A' ' 49' ' ' GLU . 34.0 mt-10 -85.72 25.99 1.02 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.158 -174.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.03 8.31 17.05 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.784 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.3 mt -104.84 -85.01 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -167.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -154.58 17.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 0.0 109.24 -173.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' CD ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -95.05 -12.95 25.66 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -171.251 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.41 -39.52 70.32 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.83 -42.99 17.17 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.868 0.842 . . . . 0.0 111.221 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 2.4 t -75.74 -25.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.534 -169.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 56' ' ' VAL . 71.6 t -65.93 -39.87 85.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.565 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.78 -35.68 79.11 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.508 -0.877 . . . . 0.0 109.38 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -67.41 -37.41 83.01 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.152 177.492 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.723 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 9.0 p -67.75 -36.3 75.49 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.146 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -69.13 -37.63 78.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.364 0.602 . . . . 0.0 109.998 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.47 -54.09 28.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.993 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 p -62.4 -39.84 94.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.498 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.723 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 9.9 tp -46.56 -49.31 18.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.149 1.379 . . . . 0.0 109.924 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.18 -45.41 13.94 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.753 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -76.52 -34.18 58.59 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.69 -55.21 28.88 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.62 -139.32 5.42 Favored Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 117.284 -2.389 . . . . 0.0 116.091 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.87 157.57 7.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 113.099 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -95.44 46.87 1.95 Allowed Glycine 0 N--CA 1.408 -3.231 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.352 -172.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 11.0 pt-20 -112.13 152.03 28.77 Favored 'General case' 0 C--N 1.27 -2.878 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.8 m -130.35 118.55 21.42 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.116 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' HD1' ' A' ' 73' ' ' PHE . 34.1 t70 -98.21 160.13 14.49 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.215 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' B' ' 78' ' ' ALA . 42.1 p90 -57.03 -31.46 65.17 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.112 0.565 . . . . 0.0 111.543 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.06 -36.5 83.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.756 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.17 -39.2 65.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.536 ' O ' HG12 ' A' ' 77' ' ' VAL . 22.7 m-85 -51.53 -59.02 4.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.665 0.603 . . . . 0.0 111.164 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -43.65 89.69 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.798 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.56 65.18 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.183 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 56' ' ' VAL . 37.9 m-85 -60.95 -55.76 29.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.168 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG22 ' SD ' ' B' ' 7' ' ' MET . 7.3 p -59.28 -46.35 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -175.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB3' ' CE1' ' B' ' 70' ' ' PHE . . . -77.39 -26.95 52.3 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.085 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -80.75 -31.72 35.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.178 -1.409 . . . . 0.0 111.107 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 33.6 m -72.47 -39.82 62.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.122 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.219 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -83.81 -23.86 31.24 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -147.09 -56.81 0.25 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.52 60.43 1.37 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 110.973 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.8 m 60.1 -91.47 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.753 1.221 . . . . 0.0 111.405 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.3 m80 33.25 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -168.329 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 CA--C 1.497 -1.095 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG3' ' ND1' ' B' ' 15' ' ' HIS 0.301 8.5 pt-20 . . . . . 0 C--O 1.254 1.32 0 O-C-N 125.755 1.909 . . . . 0.0 109.808 -170.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 2.2 m . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 4.2 tp10 -73.78 -49.75 23.86 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -171.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 1.1 tm? -69.51 -34.36 74.18 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.65 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 29.4 tt0 -54.5 -53.67 51.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.265 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -62.93 -26.25 68.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.697 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -71.08 -42.04 69.9 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 77' ' ' VAL . 53.3 ttp -62.96 -42.01 99.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.664 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 4' ' ' GLU . 66.8 t -59.15 -44.64 92.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.974 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.55 98.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.307 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 94.0 mt -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.739 0.304 . . . . 0.0 111.056 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -80.13 -30.52 12.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 12.7 t70 -72.42 -32.42 66.33 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.544 0.688 . . . . 0.0 109.559 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.41 -41.15 83.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.359 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.02 -49.73 76.79 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.003 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.522 ' ND1' ' HG3' ' A' ' 91' ' ' GLU . 9.1 t60 -44.94 -45.28 10.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.51 1.924 . . . . 0.0 112.164 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.25 -50.84 70.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.419 ' OH ' ' HG2' ' B' ' 24' ' ' LYS 0.286 2.1 p90 37.33 -135.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -175.446 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 62.1 m -151.15 -64.98 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.741 -0.599 . . . . 0.0 110.587 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.0 115.74 4.59 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.829 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -20.31 66.44 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 123.272 0.629 . . . . 0.0 112.666 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.64 -58.59 1.85 Allowed 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.8 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.24 -54.51 13.22 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.418 0.527 . . . . 0.0 114.418 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -77.73 -15.84 58.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.284 0.564 . . . . 0.0 111.049 -173.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.501 ' O ' ' HD3' ' B' ' 24' ' ' LYS . 4.7 tmtm? -75.57 -36.76 60.29 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -69.7 -52.8 22.39 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.879 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' B' ' 67' ' ' GLU . 51.9 mtmt -148.56 155.09 40.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 173.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.08 -41.36 67.44 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.1 OUTLIER 74.48 136.85 0.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.914 1.286 . . . . 0.0 111.767 -173.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.445 ' HB3' ' HG ' ' B' ' 60' ' ' LEU . 13.4 mptt -65.14 -37.07 86.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 9.5 m -62.95 -32.69 74.06 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.063 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -85.4 -21.91 28.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.427 0.632 . . . . 0.0 110.282 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.95 -28.85 70.36 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.474 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 2.4 tmmt? -55.22 -47.45 75.32 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 110.795 173.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.474 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 46.4 mt-10 -76.74 -29.11 56.02 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.014 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -51.69 68.64 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 32' ' ' LEU . 18.0 pt -68.75 -40.78 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -49.54 -36.68 24.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.4 1.08 . . . . 0.0 111.833 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -104.63 -52.68 2.84 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -88.03 -14.48 38.89 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -171.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.647 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 3.9 tt -79.99 -64.7 1.13 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -162.5 147.54 12.29 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -103.95 -49.82 3.54 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.07 174.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -127.74 34.96 4.56 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.32 30.36 2.86 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.767 0.794 . . . . 0.0 109.022 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' CD ' ' B' ' 49' ' ' GLU . 43.0 mt-10 -84.87 28.04 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.743 -176.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.16 13.15 15.69 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.141 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mt -108.71 -91.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -147.59 16.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.487 1.136 . . . . 0.0 109.122 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -89.08 -21.45 23.4 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -170.531 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -53.41 -39.5 64.36 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.83 -43.79 17.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.879 0.847 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 2.6 t -75.55 -25.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.314 -170.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.531 ' O ' HG12 ' B' ' 56' ' ' VAL . 75.9 t -65.89 -37.96 81.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.288 0.566 . . . . 0.0 110.027 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.64 -37.54 76.81 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.432 ' N ' ' HE3' ' B' ' 55' ' ' LYS . 0.4 OUTLIER -66.61 -36.66 83.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.182 178.299 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.756 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 7.7 p -67.75 -35.71 73.47 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.491 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -70.69 -36.51 73.32 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.411 0.624 . . . . 0.0 110.012 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.75 -57.1 9.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.298 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.0 p -61.8 -39.79 92.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.307 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.756 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 10.7 tp -48.0 -39.31 19.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.949 1.299 . . . . 0.0 110.794 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.68 -39.71 9.76 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.226 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.17 -34.33 49.67 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.22 -48.99 75.95 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.34 -132.58 2.54 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 117.227 -2.416 . . . . 0.0 116.007 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -71.96 159.85 33.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.451 0.7 . . . . 0.0 112.094 -172.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -93.29 45.28 2.43 Favored Glycine 0 N--CA 1.412 -2.911 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.882 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.499 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 13.5 pt-20 -109.21 151.19 26.83 Favored 'General case' 0 C--N 1.268 -2.976 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.437 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 61.7 m -130.67 117.71 19.88 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.572 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.43 ' O ' ' HD1' ' B' ' 73' ' ' PHE . 16.1 t70 -95.54 160.48 14.49 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 78' ' ' ALA . 34.8 p90 -58.13 -31.0 66.77 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.174 0.59 . . . . 0.0 111.284 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -65.53 -36.48 83.93 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.509 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 39.7 mt-10 -73.49 -39.73 64.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.531 ' O ' HG12 ' B' ' 77' ' ' VAL . 23.5 m-85 -51.63 -59.43 4.28 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.799 0.687 . . . . 0.0 111.256 175.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -42.99 87.86 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.808 0.693 . . . . 0.0 111.76 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.09 50.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.036 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.607 ' CD1' HG23 ' B' ' 56' ' ' VAL . 38.6 m-85 -59.86 -55.72 30.73 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.125 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.537 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.3 p -59.53 -46.88 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.41 ' HB3' ' CE1' ' A' ' 70' ' ' PHE . . . -77.23 -24.12 51.25 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.03 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -83.39 -34.12 25.62 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 118.445 -1.302 . . . . 0.0 111.028 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.51 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 33.3 m -70.3 -39.08 76.26 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.203 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 m -83.94 -23.26 31.19 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.701 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.9 m -150.04 -56.16 0.17 Allowed 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 63.59 59.63 1.18 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.216 1.006 . . . . 0.0 111.845 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 m 62.41 -93.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 35.93 -90.28 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 C--O 1.255 1.364 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -169.433 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.431 -1.405 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.46 -42.81 24.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -34.12 75.3 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -44.42 -60.48 1.93 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.601 1.16 . . . . 0.0 110.481 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -79.71 -21.01 45.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.547 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -68.41 -45.51 72.43 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.525 176.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.442 ' HG3' HG22 ' B' ' 77' ' ' VAL . 17.2 tmm? -59.95 -41.91 92.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.305 0.574 . . . . 0.0 109.7 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.31 -37.18 77.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.541 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.26 85.03 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.1 mp -59.42 -35.16 73.47 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.235 0.541 . . . . 0.0 110.524 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.91 -45.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.201 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.8 t70 -65.84 -38.11 88.0 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -68.87 -34.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.187 0.518 . . . . 0.0 109.85 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -68.74 -39.77 80.17 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 11.0 t60 -56.33 -40.2 74.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.617 1.967 . . . . 0.0 110.854 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 16.1 mm100 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -86.47 150.83 24.0 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.329 0.585 . . . . 0.0 112.075 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -73.4 37.67 0.09 Allowed 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.318 1.447 . . . . 0.0 114.854 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.3 -8.67 3.19 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.256 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -57.76 -18.93 24.39 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -132.89 -50.63 0.89 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 121.97 -0.456 . . . . 0.0 110.293 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.6 75.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.588 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 14.1 t70 -87.31 -96.44 0.09 Allowed 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.412 -0.915 . . . . 0.0 112.132 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 24.0 tptm -117.42 22.47 12.41 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.1 t60 71.51 13.49 6.43 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.282 -1.781 . . . . 0.0 106.896 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 53.8 mtmt -163.99 -177.58 5.14 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . 8.6 mp -111.02 147.42 34.8 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 119.485 1.039 . . . . 0.0 110.019 -173.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -65.83 163.0 17.71 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 99.4 mttt -67.98 -29.72 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.438 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 15.7 m -65.4 -22.89 66.84 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.946 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 27' ' ' LEU . 16.9 mm-40 -85.91 -28.45 24.34 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.791 0.805 . . . . 0.0 109.847 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.1 tm? -60.85 -22.65 64.45 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.754 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HE3' ' O ' ' A' ' 30' ' ' SER . 3.1 ttmt -52.23 -50.94 61.01 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.481 175.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.59 -39.02 93.32 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.906 0.86 . . . . 0.0 110.107 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.632 HD21 ' CE2' ' A' ' 73' ' ' PHE . 26.4 tp -63.71 -51.21 66.01 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.522 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.6 pt -68.34 -25.55 31.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -55.6 -37.71 68.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.581 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -112.73 -61.23 1.76 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.03 71.89 10.15 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 123.022 1.392 . . . . 0.0 112.385 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 77' ' ' VAL . 4.9 tt -131.01 -64.91 0.8 Allowed 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 173.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -166.73 55.44 0.09 Allowed 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.266 1.426 . . . . 0.0 107.849 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.5 m80 70.36 -67.95 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.919 1.288 . . . . 0.0 112.949 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -134.51 -80.52 0.45 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 57.4 mt 59.09 98.72 0.02 OUTLIER 'General case' 0 C--N 1.341 0.203 0 O-C-N 124.637 1.211 . . . . 0.0 110.776 -173.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -135.51 -9.63 2.17 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.1 10.57 5.87 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -171.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 48' ' ' LYS . 3.1 mp -113.88 -72.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 118.473 -1.291 . . . . 0.0 113.244 -170.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HG2' HG22 ' A' ' 47' ' ' ILE . 13.9 mmmm -123.77 -52.06 1.8 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 122.778 1.275 . . . . 0.0 109.381 -175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -56.5 -29.43 61.8 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.063 2.545 . . . . 0.0 114.024 -173.43 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -55.87 -22.14 23.84 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.22 -47.29 13.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.466 HG12 HG23 ' A' ' 56' ' ' VAL . 22.0 t -85.43 -26.91 6.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -169.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 57' ' ' MET . 78.1 t -55.44 -43.72 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.092 0.406 . . . . 0.0 111.705 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 30.7 t70 -63.79 -44.82 92.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -62.58 -34.28 76.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.053 0.941 . . . . 0.0 110.514 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 52' ' ' VAL . 5.0 t -68.33 -41.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 124.748 1.219 . . . . 0.0 110.57 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.042 0.448 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 37.6 mm-40 -66.99 -58.24 5.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.857 173.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -59.5 -41.51 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.09 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 2.8 mp -50.35 -51.98 41.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.418 0.687 . . . . 0.0 111.248 175.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.44 -43.55 60.09 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.836 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.23 -49.22 36.9 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.736 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.91 -44.63 8.8 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.32 49.84 3.99 Favored Glycine 0 CA--C 1.499 -0.931 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -168.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -80.84 -23.85 38.84 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.583 0.706 . . . . 0.0 109.813 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.74 -56.78 3.24 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.469 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 10.0 pt-20 -178.4 179.97 0.73 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.584 0.753 . . . . 0.0 110.565 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -136.05 121.79 19.75 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -90.61 171.13 9.6 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -74.7 -17.46 60.66 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.23 -35.41 73.84 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.949 -1.101 . . . . 0.0 109.494 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -77.26 -30.31 54.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CE2' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.53 -51.95 51.01 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 171.145 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.8 -51.67 68.32 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.325 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.93 -51.77 54.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.01 -49.93 70.5 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.5 p -67.5 -32.56 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.408 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.87 29.92 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.832 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -67.0 -40.77 87.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 40' ' ' LEU . 34.2 m -62.38 -31.78 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.441 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 m -84.12 -36.13 23.17 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.861 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 p -94.45 -22.17 18.45 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -35.58 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.5 p 169.87 -48.88 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 126.918 2.087 . . . . 0.0 106.361 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -157.48 -166.49 2.04 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 102.204 -3.258 . . . . 0.0 102.204 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.281 -2.41 0 CA-C-N 119.062 0.846 . . . . 0.0 109.723 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -171.499 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 42.9 m . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.05 -43.93 32.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.79 -33.18 70.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' B' ' 1' ' ' SER . 8.4 tp10 -46.28 -57.01 4.96 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.708 1.203 . . . . 0.0 110.662 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -83.06 -21.6 33.72 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.503 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -66.29 -47.23 74.3 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 122.982 0.176 . . . . 0.0 110.901 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.426 ' HG3' HG22 ' A' ' 77' ' ' VAL . 17.0 tmm? -58.19 -41.93 85.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.35 0.595 . . . . 0.0 110.021 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.34 -37.48 78.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.724 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.41 89.56 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.503 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.2 mp -59.93 -34.66 73.54 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.196 0.522 . . . . 0.0 110.526 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.0 mt -80.42 -45.75 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.316 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 38.5 t70 -66.93 -36.54 82.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.4 -33.56 58.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.83 -39.07 76.69 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 7.8 t60 -57.68 -41.32 81.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.186 1.794 . . . . 0.0 110.73 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 16.3 mm100 -64.43 -35.13 79.93 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.069 0.548 . . . . 0.0 112.288 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -73.82 149.78 41.43 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.382 0.611 . . . . 0.0 112.631 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -75.18 50.51 0.49 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.349 1.06 . . . . 0.0 113.72 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.16 -2.44 0.99 Allowed Glycine 0 C--N 1.312 -0.79 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.563 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -16.45 58.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.681 0.792 . . . . 0.0 112.934 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.11 -55.69 0.86 Allowed 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.77 72.88 Favored Glycine 0 C--N 1.319 -0.404 0 N-CA-C 116.281 1.272 . . . . 0.0 116.281 -173.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.595 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 14.5 t70 -79.31 -90.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.957 0.879 . . . . 0.0 112.773 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.519 ' HG2' ' HB3' ' B' ' 67' ' ' GLU . 24.1 tptm -122.33 18.53 10.62 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 t60 75.11 11.9 3.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.755 -169.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.595 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 52.8 mtmt -164.5 179.65 6.56 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' B' ' 31' ' ' GLU . 8.3 mp -108.25 147.89 30.75 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 119.506 1.048 . . . . 0.0 110.167 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -65.65 162.37 18.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 168.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 99.5 mttt -67.73 -30.47 69.96 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.487 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.535 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 15.9 m -64.29 -23.7 67.39 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 27' ' ' LEU . 11.4 mm-40 -85.76 -31.07 22.58 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.653 0.74 . . . . 0.0 109.628 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.503 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -58.77 -23.24 59.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.694 1.198 . . . . 0.0 109.041 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -52.15 -48.03 65.13 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.761 1.224 . . . . 0.0 111.913 175.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.58 -34.97 74.91 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.813 0.816 . . . . 0.0 110.453 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.645 HD21 ' CE2' ' B' ' 73' ' ' PHE . 26.4 tp -64.71 -50.33 67.36 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.041 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.5 pt -68.24 -24.52 29.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -55.77 -38.59 70.09 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.438 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -112.97 -60.45 1.88 Allowed 'General case' 0 C--O 1.25 1.08 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.19 71.92 10.01 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.043 1.401 . . . . 0.0 111.959 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.523 ' HG ' HG23 ' B' ' 77' ' ' VAL . 4.6 tt -131.98 -64.75 0.77 Allowed 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 103.649 -2.723 . . . . 0.0 103.649 173.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -165.41 52.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.946 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.9 m80 71.45 -65.92 0.32 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.615 1.166 . . . . 0.0 112.015 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.93 -79.96 0.44 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.437 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 52.4 mt 59.37 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.618 1.199 . . . . 0.0 110.858 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -134.51 -5.82 2.56 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.099 -0.376 . . . . 0.0 111.695 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -135.85 9.96 3.34 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.538 HG22 ' HG2' ' B' ' 48' ' ' LYS . 2.9 mp -113.75 -76.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 C-N-CA 117.717 -1.593 . . . . 0.0 112.143 -171.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.538 ' HG2' HG22 ' B' ' 47' ' ' ILE . 14.3 mmmm -118.53 -51.99 2.38 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 122.43 1.109 . . . . 0.0 109.548 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.47 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -57.71 -30.46 65.53 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.022 2.529 . . . . 0.0 113.861 -173.075 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -53.57 -24.45 13.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -80.88 -46.84 14.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.469 HG12 HG23 ' B' ' 56' ' ' VAL . 19.8 t -85.69 -28.73 6.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.524 -170.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' B' ' 57' ' ' MET . 76.2 t -54.75 -43.73 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.15 0.432 . . . . 0.0 111.726 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.96 -45.91 90.23 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.379 0.609 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -62.6 -34.02 76.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.146 0.978 . . . . 0.0 110.386 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.469 HG23 HG12 ' B' ' 52' ' ' VAL . 4.6 t -68.51 -41.16 82.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.587 0 C-N-CA 124.663 1.185 . . . . 0.0 110.664 174.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.9 mmt -64.61 -36.39 84.08 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.464 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -63.24 -56.82 13.44 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 123.954 0.784 . . . . 0.0 110.481 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.4 p -60.31 -40.68 91.44 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.796 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 3.1 mp -52.77 -51.59 60.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.22 0.608 . . . . 0.0 111.289 173.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.51 -46.27 66.93 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.287 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -74.28 -49.64 22.27 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.771 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.51 -47.84 8.03 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.422 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -83.93 54.69 4.97 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 116.243 1.257 . . . . 0.0 116.243 -168.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.51 -25.61 28.7 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.688 0.756 . . . . 0.0 109.432 175.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.62 -55.56 3.87 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.911 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HB3' ' HG2' ' B' ' 24' ' ' LYS . 9.8 pt-20 -179.34 -177.91 0.47 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.939 0.896 . . . . 0.0 110.923 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.4 ' SG ' ' HG ' ' B' ' 32' ' ' LEU . 47.3 t -137.88 124.15 20.53 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 105.41 -2.071 . . . . 0.0 105.41 172.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -93.59 171.79 8.67 Favored 'General case' 0 C--N 1.278 -2.535 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -75.18 -17.64 60.33 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 122.656 0.382 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.2 -34.84 71.23 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.305 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.69 -31.25 57.11 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.645 ' CE2' HD21 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -51.11 -52.78 40.42 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 171.281 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -50.91 71.81 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.13 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.45 -51.45 59.22 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -64.81 -49.6 70.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.579 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.3 p -67.9 -31.6 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-O 120.961 0.41 . . . . 0.0 111.376 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.71 -51.72 38.52 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.061 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -68.83 -40.79 79.28 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.48 HG21 HD11 ' B' ' 40' ' ' LEU . 31.2 m -61.48 -31.48 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.213 0.53 . . . . 0.0 111.41 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.0 m -82.78 -45.78 13.94 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.533 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.1 p -87.35 -18.21 30.62 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -38.77 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.093 1.357 . . . . 0.0 114.411 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 21.0 p 166.06 -44.58 0.0 OUTLIER 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 127.528 2.331 . . . . 0.0 106.08 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.49 -162.6 0.82 Allowed 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 103.625 -2.731 . . . . 0.0 103.625 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.29 -2.015 0 CA-C-N 118.834 0.743 . . . . 0.0 111.396 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 18.5 m . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.957 0.408 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -50.19 63.21 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.13 -33.63 74.83 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.161 0.505 . . . . 0.0 111.6 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 1' ' ' SER . 37.1 tt0 -55.89 -53.7 53.63 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.989 -1.46 . . . . 0.0 109.561 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.94 -34.64 69.19 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.22 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -59.57 4.42 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.749 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -57.32 -41.89 80.81 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.56 -23.81 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.433 0.635 . . . . 0.0 110.494 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.49 -43.93 25.78 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.153 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 -41.69 98.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.87 -29.58 41.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.513 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -77.5 -53.03 8.11 Favored 'General case' 0 C--O 1.247 0.961 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.97 -26.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.442 0.697 . . . . 0.0 111.733 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.08 -46.14 82.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.774 0.83 . . . . 0.0 111.089 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -85.09 -30.9 23.68 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.98 -40.09 79.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.239 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CD1' HD13 ' A' ' 35' ' ' LEU . 83.7 t80 -68.65 -65.34 0.71 Allowed 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m -154.4 88.64 1.23 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -35.82 48.81 Favored Glycine 0 CA--C 1.496 -1.114 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -56.38 -28.06 58.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.779 -0.711 . . . . 0.0 110.585 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -91.33 -66.73 0.9 Allowed 'General case' 0 N--CA 1.413 -2.32 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.86 -43.84 39.61 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.659 1.023 . . . . 0.0 115.659 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.26 -31.28 33.79 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.139 0.495 . . . . 0.0 111.805 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.26 -61.22 1.47 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -99.46 4.46 46.12 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HG2' ' HB3' ' A' ' 67' ' ' GLU 0.264 0.0 OUTLIER 65.87 164.13 0.17 Allowed 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 125.262 1.425 . . . . 0.0 111.011 -170.931 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -78.77 -33.95 46.0 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -169.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 69.65 139.64 0.04 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.088 0.947 . . . . 0.0 110.974 -169.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.02 -19.78 59.91 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.764 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 13.9 m -67.22 -28.69 68.27 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.459 177.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -74.61 -28.52 60.93 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.9 tm? -62.64 -26.0 68.41 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 30' ' ' SER . 3.9 tmmm? -59.55 -50.67 73.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.806 0.812 . . . . 0.0 111.459 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.34 -32.9 74.69 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.966 0.888 . . . . 0.0 110.107 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.577 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 13.6 tp -72.03 -45.74 59.7 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.708 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 2.9 pt -61.19 -36.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 121.078 0.466 . . . . 0.0 110.866 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.6 -30.68 70.85 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.421 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -122.52 -68.54 0.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -176.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.72 -14.71 56.18 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 6.7 mp -94.08 -70.41 0.71 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.529 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 t -91.63 83.67 5.37 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.76 -44.65 66.3 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.274 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.479 ' H ' HD22 ' A' ' 44' ' ' LEU . 50.4 p90 -154.49 20.39 0.47 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.388 0.613 . . . . 0.0 110.348 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 43' ' ' PHE . 2.9 mm? -91.07 20.6 4.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.677 0.751 . . . . 0.0 110.757 -173.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.591 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 34.1 mt-10 -72.09 -3.21 21.79 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.167 -175.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.82 -4.19 50.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.023 -174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -86.13 -86.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.241 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -116.02 -79.62 0.59 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' HG3' ' HA ' ' A' ' 45' ' ' GLU . 4.0 mm-40 57.8 -73.26 0.02 OUTLIER 'General case' 0 C--O 1.184 -2.386 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 170.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -48.06 -42.1 27.72 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -165.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -74.95 -46.64 34.18 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 122.043 0.925 . . . . 0.0 109.798 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 12.0 t -72.94 -33.54 43.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.639 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.616 ' O ' ' HG2' ' A' ' 57' ' ' MET . 77.1 t -63.27 -37.0 78.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 C-N-CA 123.078 0.551 . . . . 0.0 109.731 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.18 -41.64 85.55 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.691 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -67.12 -35.75 80.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.57 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.9 p -68.83 -37.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -63.14 -33.92 76.5 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.18 -62.48 1.36 Allowed 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.204 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -66.3 -49.7 66.16 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.68 -46.12 77.65 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 123.555 0.742 . . . . 0.0 111.177 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.68 -32.27 25.67 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.21 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -71.25 -42.06 69.31 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.31 -59.11 4.77 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.55 -68.51 1.51 Allowed Glycine 0 C--O 1.24 0.504 0 O-C-N 123.672 0.608 . . . . 0.0 113.744 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.07 -62.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.029 2.132 . . . . 0.0 112.558 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.31 -49.39 0.75 Allowed Glycine 0 C--N 1.291 -1.942 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.5 pm0 -116.69 151.46 36.29 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.615 176.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -113.47 119.72 38.55 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.06 160.45 24.51 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.8 -21.73 66.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.546 0.689 . . . . 0.0 110.047 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.05 -42.15 76.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 46.2 mt-10 -75.26 -28.77 59.97 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.297 0.57 . . . . 0.0 110.239 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 2.7 t80 -54.88 -45.59 74.68 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.23 46.81 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.461 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -50.5 -56.64 10.7 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -67.3 -41.51 85.24 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.425 ' HB ' HD23 ' A' ' 40' ' ' LEU . 12.0 p -70.58 -38.57 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.223 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.13 73.95 Favored 'General case' 0 N--CA 1.438 -1.051 0 O-C-N 122.022 -0.424 . . . . 0.0 111.417 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.6 ptt? -81.54 -26.7 34.85 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 118.525 -1.27 . . . . 0.0 112.535 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 31.0 m -75.35 -44.84 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.295 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.8 m -78.63 -51.95 9.15 Favored 'General case' 0 N--CA 1.407 -2.611 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.506 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.8 m -77.37 -73.58 0.29 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 42.58 68.45 0.48 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.24 1.016 . . . . 0.0 111.621 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t 70.25 -32.87 0.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.256 1.422 . . . . 0.0 113.222 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -84.64 153.13 23.35 Favored 'General case' 0 C--O 1.208 -1.091 0 O-C-N 121.719 -0.613 . . . . 0.0 111.672 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 4.2 mm-40 . . . . . 0 C--O 1.195 -1.792 0 C-N-CA 124.872 1.269 . . . . 0.0 110.846 -166.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.61 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 28.9 t-80 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.275 16.6 pt-20 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 116.427 -1.749 . . . . 0.0 108.831 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 19.3 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.845 0.355 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -47.54 66.18 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.64 -34.11 77.12 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.26 0.553 . . . . 0.0 111.296 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' B' ' 1' ' ' SER . 38.8 tt0 -55.45 -52.35 63.9 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.479 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -74.06 -34.0 63.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.336 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -57.54 7.72 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.824 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -58.21 -41.69 84.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.2 -24.9 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 121.395 0.617 . . . . 0.0 110.272 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.72 -44.38 33.63 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.33 -40.36 96.11 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.76 -29.45 37.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.762 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 33.3 t70 -77.85 -53.23 7.72 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 p -53.73 -26.87 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.599 0.76 . . . . 0.0 111.895 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -57.23 -45.72 83.65 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.822 0.849 . . . . 0.0 111.191 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -85.8 -30.21 23.18 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 18.4 mm-40 -57.91 -42.19 84.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.63 -62.6 1.42 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 63.3 m -158.81 91.13 1.03 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -34.04 49.39 Favored Glycine 0 CA--C 1.497 -1.046 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.411 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 4.6 ppt_? -54.82 -32.76 60.77 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.662 -0.769 . . . . 0.0 110.268 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HG2' ' HD2' ' B' ' 20' ' ' ARG . 14.6 mm-40 -87.18 -66.71 0.88 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.666 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.71 -43.56 38.0 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 115.521 0.968 . . . . 0.0 115.521 -169.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.52 -29.48 30.42 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -104.82 -66.91 0.94 Allowed 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -93.87 6.22 49.13 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.676 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' B' ' 67' ' ' GLU 0.268 0.0 OUTLIER 64.46 167.21 0.16 Allowed 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.367 1.467 . . . . 0.0 111.364 -171.58 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -79.96 -32.15 39.89 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.9 135.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.946 0.879 . . . . 0.0 111.083 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.25 -22.37 61.24 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.442 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 18.9 m -64.02 -27.58 69.21 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.665 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -81.44 -21.98 38.48 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 121.99 -0.444 . . . . 0.0 110.708 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -65.6 -25.81 67.56 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' B' ' 30' ' ' SER . 3.7 tmmm? -58.48 -50.75 72.59 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 122.064 0.935 . . . . 0.0 111.015 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.1 -38.44 82.95 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.32 175.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.599 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 15.8 tp -70.3 -44.23 68.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.819 -175.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 3.1 pt -62.97 -34.73 67.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 118.021 0.373 . . . . 0.0 111.246 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 -29.82 70.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.475 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -124.84 -70.82 0.73 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.47 -15.85 57.08 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -170.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 6.5 mp -93.42 -70.41 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.942 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -91.81 85.22 5.55 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -69.49 -40.23 77.16 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.394 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.445 ' H ' HD22 ' B' ' 44' ' ' LEU . 42.2 p90 -161.2 23.6 0.13 Allowed 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.445 HD22 ' H ' ' B' ' 43' ' ' PHE . 2.9 mm? -92.77 19.64 7.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.498 0.665 . . . . 0.0 110.954 -173.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' B' ' 49' ' ' GLU . 35.0 mt-10 -70.49 -1.34 10.58 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.015 1.326 . . . . 0.0 112.916 -175.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.2 -16.4 27.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.905 0.482 . . . . 0.0 112.244 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.1 -82.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -121.32 -79.65 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' B' ' 45' ' ' GLU . 2.4 mm-40 57.97 -73.43 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.315 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -49.37 -37.88 26.46 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -165.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -77.51 -47.6 19.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.889 0.852 . . . . 0.0 109.682 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 12.9 t -71.22 -35.35 57.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.716 -173.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.622 ' O ' HG12 ' B' ' 56' ' ' VAL . 76.9 t -63.28 -37.09 78.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 C-N-CA 123.156 0.582 . . . . 0.0 109.866 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -42.35 89.61 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -68.12 -35.22 77.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.703 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 53' ' ' VAL . 2.0 p -68.39 -36.19 73.87 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.674 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.3 mmt -64.99 -28.61 69.63 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 121.267 0.556 . . . . 0.0 110.131 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.88 -62.24 1.66 Allowed 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.713 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.8 p -65.13 -49.58 69.35 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.8 tp -55.92 -46.52 78.42 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 123.43 0.692 . . . . 0.0 111.07 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.39 -32.89 32.61 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.062 -176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -38.55 57.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.961 0.41 . . . . 0.0 110.141 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.16 -55.06 36.71 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.09 -72.69 0.72 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.461 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 67.6 -56.88 0.46 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.154 2.182 . . . . 0.0 112.462 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.67 -45.53 1.1 Allowed Glycine 0 C--N 1.295 -1.74 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.498 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 2.0 pm0 -119.0 152.59 36.12 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.177 -0.511 . . . . 0.0 111.31 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.7 t -114.79 119.29 36.15 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 170.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -83.49 161.55 21.21 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -63.47 -21.74 66.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.995 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 75' ' ' ALA . 97.0 mt-30 -68.31 -42.9 78.75 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.731 172.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 75' ' ' ALA . 45.5 mt-10 -75.16 -28.49 60.12 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 110.404 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.599 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 2.8 t80 -55.05 -45.97 75.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.565 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -47.14 55.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.5 175.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' B' ' 72' ' ' GLU . . . -51.12 -57.84 7.67 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -175.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.79 -39.39 87.75 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.445 ' HB ' HD23 ' B' ' 40' ' ' LEU . 12.3 p -71.65 -39.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.54 77.41 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 122.254 -0.279 . . . . 0.0 111.387 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptt? -79.6 -28.12 41.03 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.628 -179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.526 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 27.5 m -74.49 -43.78 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.703 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.391 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -80.55 -50.14 10.4 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.677 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.5 m -78.82 -73.87 0.31 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 41.69 69.05 0.39 Allowed 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.182 0.993 . . . . 0.0 111.826 -175.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.5 t 71.45 -34.27 0.29 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.336 1.454 . . . . 0.0 113.2 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -85.57 151.89 23.57 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 121.652 -0.655 . . . . 0.0 111.515 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.197 -1.659 0 C-N-CA 124.795 1.238 . . . . 0.0 110.625 -166.738 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.241 0.658 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.44 -49.11 65.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.768 0.827 . . . . 0.0 110.161 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.459 HD12 HG21 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.38 -40.76 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -176.533 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 8' ' ' VAL . 30.9 tt0 -54.57 -56.26 20.75 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.834 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.13 -44.12 74.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.845 0.858 . . . . 0.0 110.832 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.76 96.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.024 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.97 -47.2 84.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.204 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 4' ' ' GLU . 87.1 t -60.24 -44.59 95.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.458 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.26 86.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.11 -42.52 93.87 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.493 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 40.4 pt -74.28 -31.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.54 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.07 -28.78 27.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.486 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.51 -35.02 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 121.14 0.495 . . . . 0.0 110.491 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 27' ' ' LEU . 85.8 t80 -65.34 -45.98 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.826 0.822 . . . . 0.0 108.858 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.45 -49.52 77.24 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.556 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -58.22 -27.87 64.33 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.729 0.812 . . . . 0.0 112.911 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.42 -49.28 69.79 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 t -149.04 92.04 1.92 Allowed 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.133 0.492 . . . . 0.0 111.017 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.99 59.56 4.93 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-O 121.63 0.572 . . . . 0.0 112.762 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -45.35 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -77.56 -49.5 14.54 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -59.26 -59.82 9.98 Favored Glycine 0 CA--C 1.483 -1.951 0 O-C-N 124.617 1.198 . . . . 0.0 111.38 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.62 -59.11 1.73 Allowed 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.741 0.907 . . . . 0.0 112.967 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.38 -52.97 7.05 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -130.18 17.59 5.52 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.6 mmpt? 67.25 -167.65 0.2 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.578 0.751 . . . . 0.0 110.972 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 52.9 mt -146.98 153.1 39.67 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -80.94 154.26 27.08 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.653 0.596 . . . . 0.0 110.205 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.15 -18.25 64.26 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.834 174.691 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.698 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.8 m -53.65 -38.54 64.21 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.35 -19.96 48.97 Favored 'General case' 0 C--O 1.259 1.604 0 CA-C-O 122.14 0.971 . . . . 0.0 110.943 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 20.6 tp -61.71 -19.25 62.18 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.85 174.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.698 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -51.19 -34.36 31.42 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.823 0.849 . . . . 0.0 112.741 176.02 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 17.8 mt-10 -82.52 -38.7 23.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.473 0.654 . . . . 0.0 110.047 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 32' ' ' LEU . 21.6 tp -68.52 -34.59 76.15 Favored 'General case' 0 CA--C 1.558 1.287 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.836 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.592 HG22 HD22 ' A' ' 40' ' ' LEU . 11.2 pt -67.66 -43.64 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 O-C-N 121.951 -0.468 . . . . 0.0 111.499 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.88 -30.93 62.31 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.227 0.611 . . . . 0.0 111.338 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -92.35 -60.73 1.76 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 68.1 mm-40 -87.78 -62.11 1.57 Allowed 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.592 HD22 HG22 ' A' ' 36' ' ' ILE . 4.9 mp -70.37 -20.52 62.96 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.7 m -129.43 96.43 4.28 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.769 -0.582 . . . . 0.0 110.2 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.477 ' O ' HD22 ' A' ' 44' ' ' LEU . 56.9 p-80 -140.7 102.33 4.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.809 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 70.68 7.2 6.13 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 124.265 1.026 . . . . 0.0 112.751 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 42' ' ' HIS . 2.9 mm? -84.63 72.84 10.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.13 -20.14 4.2 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.776 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' HG13 ' A' ' 47' ' ' ILE . 11.2 pt-20 -92.03 1.25 57.31 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.892 -169.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.45 HG13 ' HG3' ' A' ' 46' ' ' GLU . 40.1 mt -112.82 -87.14 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.837 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -150.67 8.83 0.59 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.235 0.54 . . . . 0.0 110.829 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 mp0 -76.59 -23.25 53.48 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.8 -30.44 63.69 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.353 0.524 . . . . 0.0 111.109 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.8 mm-40 -73.05 -49.52 28.22 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.05 -28.11 35.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.257 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 57' ' ' MET . 70.6 t -64.09 -36.01 75.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 25.8 t70 -70.95 -41.39 71.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.166 0.507 . . . . 0.0 110.153 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 26.4 mmmt -66.05 -34.97 79.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.002 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.694 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.5 p -68.53 -33.65 61.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -67.7 -39.12 84.4 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 45.4 mt-10 -66.58 -51.24 58.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.062 0.458 . . . . 0.0 110.395 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.4 p -65.31 -41.75 93.72 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 7.7 tp -51.95 -49.39 63.27 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.933 0.893 . . . . 0.0 110.281 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.57 -51.87 51.73 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.338 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -70.86 -39.33 72.96 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.42 -10.1 45.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.95 0.881 . . . . 0.0 110.543 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.17 62.12 0.02 OUTLIER Glycine 0 N--CA 1.473 1.113 0 CA-C-N 114.414 -1.266 . . . . 0.0 115.282 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.51 -41.32 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 123.901 0.88 . . . . 0.0 109.464 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.29 41.43 3.06 Favored Glycine 0 CA--C 1.495 -1.167 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.473 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 59.13 -162.44 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.243 1.417 . . . . 0.0 110.325 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -138.88 117.72 12.36 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.13 164.67 12.77 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 11' ' ' ILE . 27.6 m-85 -63.63 -31.17 72.25 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.629 0.772 . . . . 0.0 109.57 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.0 -33.55 76.33 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.098 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.14 -29.45 48.78 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.517 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 7.2 m-85 -52.08 -54.52 29.33 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 123.479 0.487 . . . . 0.0 110.041 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -59.53 -41.89 91.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.983 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.59 -52.64 63.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.428 0.632 . . . . 0.0 111.424 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -64.23 -43.56 94.56 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.462 HG21 HD12 ' B' ' 3' ' ' LEU . 14.9 p -71.53 -38.87 69.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.59 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -68.66 -30.59 69.31 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.029 -0.669 . . . . 0.0 111.405 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -78.11 -29.61 49.02 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.614 -1.634 . . . . 0.0 111.624 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.34 -52.57 12.48 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.917 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 m -84.8 -39.08 18.8 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.59 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 19.2 m -86.71 -53.83 4.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -23.59 12.99 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.2 p -72.55 -65.79 0.74 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HB2' HG21 ' A' ' 47' ' ' ILE . 56.1 t60 -126.83 -1.77 6.62 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.753 -0.592 . . . . 0.0 112.428 -176.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' THR . 61.4 mm-40 . . . . . 0 C--N 1.306 -1.302 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 106.727 -1.582 . . . . 0.0 106.727 173.678 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.08 -49.98 63.24 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.635 0.774 . . . . 0.0 109.694 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.83 -40.91 95.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.483 -176.764 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 8' ' ' VAL . 34.0 tt0 -54.47 -57.7 10.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.781 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' B' ' 5' ' ' LYS . 36.4 ttpt -53.22 -44.08 67.75 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.202 1.001 . . . . 0.0 110.99 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.48 92.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -62.51 -47.17 85.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.027 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 4' ' ' GLU . 96.8 t -59.34 -45.7 93.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.97 83.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.1 -42.77 93.7 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.445 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 41.6 pt -74.24 -33.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.666 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 17.5 t70 -83.97 -26.85 28.89 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.413 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.34 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-O 121.235 0.54 . . . . 0.0 110.215 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' B' ' 27' ' ' LEU . 87.2 t80 -63.24 -46.51 86.58 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 122.101 0.953 . . . . 0.0 108.639 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 71.8 t60 -59.53 -49.1 79.1 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.898 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -59.55 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.693 0.797 . . . . 0.0 112.699 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.79 -51.39 68.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.1 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.4 t -146.14 96.95 2.87 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.269 0.557 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.04 60.18 4.14 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.282 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.92 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.5 -48.49 32.92 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.429 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -59.91 -58.86 11.98 Favored Glycine 0 CA--C 1.488 -1.645 0 O-C-N 124.659 1.224 . . . . 0.0 111.182 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -44.98 -54.85 6.08 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.592 0.71 . . . . 0.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -81.25 -63.03 1.49 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -126.17 26.54 6.46 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -169.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 9.4 mmpt? 62.7 -166.15 0.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.865 0.728 . . . . 0.0 111.991 175.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 61.2 mt -147.99 152.47 37.52 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 123.918 0.887 . . . . 0.0 108.642 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 13.5 mptt -81.61 154.7 26.02 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.69 0.619 . . . . 0.0 109.73 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.555 ' HZ1' ' CD ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -63.42 -18.05 63.31 Favored 'General case' 0 C--O 1.206 -1.229 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.573 173.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.722 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 2.4 m -52.44 -39.32 60.9 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 123.03 0.532 . . . . 0.0 109.854 172.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.47 -19.56 45.72 Favored 'General case' 0 C--O 1.258 1.548 0 CA-C-O 122.053 0.93 . . . . 0.0 110.768 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 22.5 tp -61.95 -19.2 62.5 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.716 174.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.722 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -51.52 -34.76 37.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.921 0.889 . . . . 0.0 112.368 176.15 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.547 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 11.9 mt-10 -84.02 -35.72 23.66 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.384 0.611 . . . . 0.0 110.724 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.64 -33.44 70.98 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.656 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.582 HG22 HD22 ' B' ' 40' ' ' LEU . 10.9 pt -69.11 -41.92 81.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 121.86 -0.525 . . . . 0.0 110.874 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.23 -32.01 64.07 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 123.939 0.775 . . . . 0.0 111.37 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -91.86 -59.47 2.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -87.25 -63.0 1.37 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -171.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.582 HD22 HG22 ' B' ' 36' ' ' ILE . 5.0 mp -70.06 -19.36 63.29 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -170.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -130.38 99.19 4.92 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.334 0.587 . . . . 0.0 110.083 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.511 ' O ' HD22 ' B' ' 44' ' ' LEU . 52.4 p-80 -142.53 102.32 4.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.791 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 71.58 3.91 4.85 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 124.011 0.925 . . . . 0.0 112.842 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.511 HD22 ' O ' ' B' ' 42' ' ' HIS . 2.6 mm? -82.66 76.31 9.52 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -130.38 -16.35 3.5 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.865 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -95.57 -4.74 44.08 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.479 HD12 ' OE2' ' B' ' 49' ' ' GLU . 34.6 mt -106.99 -86.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.231 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.69 -175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -150.52 7.09 0.57 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.168 0.509 . . . . 0.0 110.779 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.479 ' OE2' HD12 ' B' ' 47' ' ' ILE . 20.4 mp0 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -56.51 -31.64 64.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.126 0.489 . . . . 0.0 111.359 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 17.1 mm-40 -71.62 -50.9 26.45 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -68.14 -28.1 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.307 -174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.2 t -64.61 -35.05 73.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.244 0.545 . . . . 0.0 109.773 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 51' ' ' GLU . 25.5 mmmt -64.12 -35.9 82.27 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.954 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.718 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.7 p -68.59 -32.0 53.38 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.4 mmt -69.99 -41.97 73.7 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.48 -49.98 74.6 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.107 0.479 . . . . 0.0 110.553 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.1 p -68.61 -42.45 78.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.569 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.718 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 8.3 tp -51.33 -50.16 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.891 0.877 . . . . 0.0 110.36 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.95 -46.04 72.54 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.37 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.39 -43.81 59.81 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.93 -6.72 57.08 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 122.358 1.075 . . . . 0.0 110.566 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.26 59.57 0.04 OUTLIER Glycine 0 C--N 1.3 -1.417 0 CA-C-N 114.371 -1.286 . . . . 0.0 115.071 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.88 -41.18 0.4 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 123.583 0.753 . . . . 0.0 109.715 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.38 45.42 3.13 Favored Glycine 0 CA--C 1.488 -1.634 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.848 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 43.5 mm-40 57.41 -160.13 0.24 Allowed 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 125.699 1.6 . . . . 0.0 110.695 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.501 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 46.3 t -140.87 115.84 9.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 172.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -92.61 165.74 12.84 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 29.1 m-85 -67.91 -28.89 67.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.63 -32.44 73.92 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.749 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.555 ' CD ' ' HZ1' ' B' ' 29' ' ' LYS . 44.7 mt-10 -78.99 -31.98 45.05 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.505 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 6.8 m-85 -50.7 -54.65 21.45 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.58 0.55 . . . . 0.0 109.958 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.44 -41.6 89.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.099 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.54 67.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.392 0.615 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.23 -45.44 88.18 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.537 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.459 HG21 HD12 ' A' ' 3' ' ' LEU . 15.0 p -69.85 -38.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.63 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.95 -29.25 67.45 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.47 -176.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.42 -29.81 42.06 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.336 -1.746 . . . . 0.0 111.737 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.3 m -84.21 -52.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.977 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -84.5 -39.37 18.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.354 0.597 . . . . 0.0 112.364 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 17.0 m -88.12 -52.11 5.42 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.77 -6.16 3.43 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.23 -58.85 2.59 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.348 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.421 ' HB2' HG21 ' B' ' 47' ' ' ILE . 70.7 t60 -131.99 -9.25 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 82' ' ' THR . 14.4 mm-40 . . . . . 0 C--N 1.306 -1.297 0 O-C-N 121.328 -0.857 . . . . 0.0 110.442 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.316 0.579 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HG3' ' HB1' ' B' ' 9' ' ' ALA . 8.5 tp10 -61.38 -40.56 94.76 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.532 0.682 . . . . 0.0 110.418 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.2 -22.56 61.25 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.0 -44.42 89.32 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.87 -38.0 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.404 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.29 -47.01 71.9 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.953 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -63.58 -40.83 97.97 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 109.774 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.34 -35.0 63.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.875 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -45.01 91.86 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.182 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.9 mp -61.83 -51.79 66.8 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 121.415 0.626 . . . . 0.0 110.307 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 pt -72.45 -37.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.8 t70 -69.03 -41.04 78.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.328 -0.233 . . . . 0.0 111.172 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.83 -35.92 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' HZ ' ' HG ' ' A' ' 68' ' ' CYS . 2.8 m-30 -63.31 -38.14 90.0 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -68.83 -42.02 77.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.8 mm-40 -53.46 -41.78 66.5 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.899 0.479 . . . . 0.0 111.824 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.33 62.68 2.39 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.6 m 60.38 14.47 4.74 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.333 1.053 . . . . 0.0 113.032 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.617 ' HA2' ' HB3' ' A' ' 23' ' ' ASP . . . -83.34 62.47 4.62 Favored Glycine 0 CA--C 1.495 -1.209 0 CA-C-O 121.584 0.547 . . . . 0.0 113.85 -174.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 -34.06 0.88 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.755 -0.722 . . . . 0.0 109.937 173.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.15 -42.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.871 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.31 -45.15 75.5 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 175.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.617 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 21.6 t70 -93.82 152.25 19.04 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.47 15.79 0.56 Allowed 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 125.481 1.512 . . . . 0.0 111.375 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HE3' ' A' ' 26' ' ' LYS . 22.1 m80 59.84 29.11 18.69 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.963 0.887 . . . . 0.0 109.133 -170.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 7.7 mmpt? -149.85 106.45 3.52 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 101.945 -3.354 . . . . 0.0 101.945 -177.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 tm? -75.79 -35.4 60.1 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -159.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 74.77 136.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.762 0.791 . . . . 0.0 110.831 -175.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 8.2 mtmp? -63.75 -22.73 67.06 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.481 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.673 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.9 m -55.99 -47.46 77.68 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.294 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.79 -18.17 38.62 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 121.585 0.707 . . . . 0.0 111.252 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.9 tm? -61.03 -20.29 62.37 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.26 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.673 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.29 -38.39 65.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.796 0.838 . . . . 0.0 112.333 174.283 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.629 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 25.2 mt-10 -74.03 -35.24 64.32 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.36 -53.66 53.81 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.757 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 40' ' ' LEU . 8.5 pt -64.14 -38.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.9 -44.73 39.03 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.208 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -101.3 -64.07 1.08 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -78.98 -5.88 54.93 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 77' ' ' VAL . 4.8 tt -90.33 -44.5 9.64 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.2 m -137.6 136.18 37.31 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -76.49 -67.73 0.66 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 166.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -127.43 21.49 6.61 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.74 87.65 6.32 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 50' ' ' GLN . 36.5 mt-10 -144.04 17.11 1.75 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 18.09 2.46 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.02 -60.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -150.33 -31.19 0.2 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.837 0.855 . . . . 0.0 111.495 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.73 -25.72 68.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 C-N-CA 124.797 1.239 . . . . 0.0 110.753 -178.393 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 28.2 pt20 -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.433 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.46 -48.38 11.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.674 0.749 . . . . 0.0 109.61 173.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.425 HG12 HG23 ' A' ' 56' ' ' VAL . 39.1 t -66.48 -37.86 80.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -171.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 57' ' ' MET . 58.9 t -55.32 -40.98 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.99 -42.46 94.51 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.172 0.511 . . . . 0.0 110.521 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -69.42 -32.64 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.6 0.714 . . . . 0.0 110.031 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.572 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 t -62.5 -39.05 82.99 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 C-N-CA 124.539 1.136 . . . . 0.0 110.557 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.3 mmt -66.41 -24.53 66.48 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.34 -60.84 2.21 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.519 0.676 . . . . 0.0 109.382 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 56' ' ' VAL . 6.6 p -56.52 -33.34 65.95 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.772 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.3 tp -49.41 -33.43 13.89 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.817 1.247 . . . . 0.0 110.921 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -114.34 -40.98 3.54 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.088 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.24 -28.18 69.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.57 -69.0 0.35 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.889 0.376 . . . . 0.0 110.637 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.46 ' H ' ' HE2' ' A' ' 29' ' ' LYS . . . 59.18 37.13 91.32 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.089 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.41 -37.53 81.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 117.251 0.526 . . . . 0.0 111.038 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.49 87.42 0.06 OUTLIER Glycine 0 N--CA 1.411 -2.988 0 C-N-CA 118.944 -1.598 . . . . 0.0 114.309 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 65.76 -149.17 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.606 ' HG ' ' HZ ' ' A' ' 14' ' ' PHE . 49.8 t -151.9 123.96 8.12 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.737 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 4.1 m-20 -126.87 -161.95 1.11 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -64.19 -22.64 67.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -72.77 -50.85 21.76 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.199 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 22.9 mp0 -63.88 -39.16 93.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -53.26 -62.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.125 178.538 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -40.34 89.79 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.876 0.735 . . . . 0.0 111.116 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -57.26 -55.16 38.38 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 123.466 0.479 . . . . 0.0 111.879 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -64.38 -48.98 73.42 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.3 p -66.14 -34.5 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.68 -51.07 12.2 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 119.384 -0.927 . . . . 0.0 111.315 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.4 ptt? -65.88 -23.96 66.76 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.34 -51.85 30.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.86 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -78.97 -27.17 43.44 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.4 p -98.5 -86.15 0.36 Allowed 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.096 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.05 6.84 1.03 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.604 1.561 . . . . 0.0 113.113 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.8 t -161.11 151.59 17.93 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -76.07 32.36 0.12 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.647 0.779 . . . . 0.0 111.694 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 . . . . . 0 C--N 1.297 -1.7 0 C-N-CA 123.633 0.773 . . . . 0.0 110.418 -174.697 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 121.359 0.599 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.412 -2.373 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -172.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.439 -1.002 0 CA-C-O 121.658 0.742 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -64.78 -33.82 76.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.003 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.28 -25.02 54.48 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.36 -49.84 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.97 -39.13 93.45 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.246 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.499 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -67.8 -44.61 76.94 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.915 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -64.97 -41.06 95.77 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.86 -35.53 61.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.473 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' HG3' ' A' ' 2' ' ' GLU . . . -59.9 -45.19 93.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.339 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.9 mp -62.21 -49.28 76.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.499 0.666 . . . . 0.0 110.323 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.37 -35.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -173.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 25.1 t70 -71.14 -41.48 70.42 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 122.184 -0.323 . . . . 0.0 110.973 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.95 -37.68 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.725 ' HZ ' ' HG ' ' B' ' 68' ' ' CYS . 2.3 m-30 -62.79 -37.65 87.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.188 0.518 . . . . 0.0 111.127 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -68.33 -42.38 79.43 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.79 177.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 77.1 mm-40 -55.47 -37.88 68.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -77.98 53.62 1.2 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m 67.39 13.71 9.43 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.617 1.167 . . . . 0.0 112.384 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.628 ' HA2' ' HB3' ' B' ' 23' ' ' ASP . . . -81.61 59.86 4.79 Favored Glycine 0 CA--C 1.499 -0.952 0 CA-C-O 121.608 0.56 . . . . 0.0 114.01 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.61 -31.22 0.96 Allowed 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.728 -0.736 . . . . 0.0 110.226 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -45.09 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 111.18 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.99 70.2 Favored Glycine 0 CA--C 1.491 -1.435 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.491 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.628 ' HB3' ' HA2' ' B' ' 19' ' ' GLY . 19.3 t70 -95.2 154.83 17.0 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -77.37 15.7 0.72 Allowed 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 124.78 1.232 . . . . 0.0 111.423 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.43 ' O ' ' HE3' ' B' ' 26' ' ' LYS . 25.2 m80 59.88 28.11 17.55 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.756 0.789 . . . . 0.0 109.486 -169.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 7.8 mmpt? -150.47 108.7 3.76 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 -178.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' B' ' 14' ' ' PHE . 2.3 tm? -78.29 -34.77 48.66 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -158.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.2 OUTLIER 75.19 136.73 0.06 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.687 -175.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.484 ' HB2' ' NZ ' ' B' ' 29' ' ' LYS . 8.3 mtmp? -64.78 -21.64 66.82 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.549 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.696 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 3.8 m -55.67 -49.08 73.9 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.742 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -81.82 -18.24 44.67 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 111.441 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.451 ' O ' HD13 ' B' ' 32' ' ' LEU . 2.8 tm? -60.9 -20.32 61.84 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.696 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.3 -37.28 64.62 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.985 0.914 . . . . 0.0 112.343 174.522 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.677 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 26.1 mt-10 -76.5 -34.86 58.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 177.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.09 -52.14 66.16 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.41 HG22 HD12 ' B' ' 40' ' ' LEU . 7.4 pt -64.36 -38.47 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.98 -41.31 36.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -100.5 -67.02 0.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -79.37 -5.71 55.18 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' B' ' 77' ' ' VAL . 4.8 tt -89.19 -42.49 11.62 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.1 m -142.72 137.45 29.84 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -80.75 -61.36 1.99 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -129.73 18.2 5.71 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.0 87.81 5.98 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -143.88 13.73 1.69 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -140.71 22.43 2.31 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -169.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.76 -63.93 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -147.62 -29.84 0.33 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.402 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -64.98 -23.94 67.37 Favored 'General case' 0 N--CA 1.421 -1.892 0 C-N-CA 124.776 1.23 . . . . 0.0 110.881 -178.071 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -56.38 -32.01 64.38 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.887 0.375 . . . . 0.0 111.687 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.46 -50.56 8.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.934 0.873 . . . . 0.0 109.689 172.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.445 HG12 HG23 ' B' ' 56' ' ' VAL . 24.2 t -64.78 -39.63 86.31 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 57' ' ' MET . 70.0 t -54.82 -40.06 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.798 0.439 . . . . 0.0 112.147 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.58 -43.06 90.93 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.071 0.462 . . . . 0.0 110.722 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.484 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 26.2 mtpp -70.53 -31.11 68.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.838 0.828 . . . . 0.0 109.662 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.609 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.87 -39.48 85.18 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.692 0 C-N-CA 124.424 1.09 . . . . 0.0 110.705 173.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.58 -25.11 67.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 39.0 mt-10 -79.69 -61.22 2.06 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' VAL . 7.0 p -56.08 -33.66 65.26 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.061 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.609 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.6 tp -48.9 -34.89 13.62 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.052 1.341 . . . . 0.0 110.849 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -111.62 -42.37 3.86 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.248 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.31 -30.99 70.84 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.49 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.138 0.495 . . . . 0.0 110.508 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.471 ' H ' ' HE2' ' B' ' 29' ' ' LYS . . . 61.66 30.97 76.25 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.21 -35.08 69.21 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.221 0.51 . . . . 0.0 112.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.64 87.47 0.06 OUTLIER Glycine 0 N--CA 1.414 -2.796 0 C-N-CA 118.974 -1.584 . . . . 0.0 114.226 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.12 -141.82 0.58 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.725 ' HG ' ' HZ ' ' B' ' 14' ' ' PHE . 41.1 t -153.3 123.64 7.09 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.64 176.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 4.2 m-20 -125.82 -163.75 1.24 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.95 1.406 . . . . 0.0 107.267 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.24 -23.55 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.82 -53.22 19.2 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.158 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.5 mp0 -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.59 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -52.78 -61.89 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.085 179.25 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.78 89.56 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -57.33 -56.6 19.75 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.545 0.528 . . . . 0.0 111.649 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -63.65 -47.99 79.05 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.59 HG12 ' O ' ' B' ' 73' ' ' PHE . 8.2 p -66.89 -34.35 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.97 -51.26 11.45 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.506 -0.877 . . . . 0.0 111.172 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.5 ptt? -65.67 -24.41 67.0 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.8 m -71.55 -50.59 38.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.936 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 69.9 m -79.87 -28.01 40.01 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -97.2 -85.27 0.36 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.9 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 57.56 14.44 2.32 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.505 1.522 . . . . 0.0 113.068 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -168.31 153.68 6.69 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -76.06 30.6 0.11 Allowed 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 123.888 0.875 . . . . 0.0 111.811 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--N 1.293 -1.855 0 C-N-CA 123.199 0.599 . . . . 0.0 110.643 -173.65 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 73.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -80.71 -33.77 35.04 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.04 -39.34 90.07 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.5 ' HG2' ' ND1' ' B' ' 42' ' ' HIS . 1.4 tm-20 -56.44 -55.68 30.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.295 1.438 . . . . 0.0 108.494 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.09 -41.67 79.33 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.327 0.651 . . . . 0.0 111.955 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -59.09 -48.52 81.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.796 0.685 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.584 ' SD ' HG22 ' B' ' 77' ' ' VAL . 33.2 ttp -59.5 -46.6 88.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.773 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 4' ' ' GLU . 59.5 t -58.77 -45.58 91.19 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.904 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.882 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -61.21 -36.26 79.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.863 0.363 . . . . 0.0 111.476 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 13' ' ' VAL . 94.1 mt -72.52 -43.16 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.046 0.451 . . . . 0.0 111.599 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.61 -32.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.178 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 30.3 t70 -72.53 -23.82 61.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.334 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 10' ' ' LEU . 6.2 p -69.78 -33.46 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.677 176.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -68.61 -40.04 80.56 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 13.7 t60 -55.26 -55.37 32.12 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.727 0.811 . . . . 0.0 110.458 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.1 mt-30 -57.24 -56.95 15.15 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.947 0.899 . . . . 0.0 112.303 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -93.54 16.23 14.16 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -49.86 108.8 0.23 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -88.42 88.36 1.54 Allowed Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 176.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -52.82 -34.8 55.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -171.777 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' NE ' ' A' ' 20' ' ' ARG . 57.1 mm-40 -110.33 -67.98 0.96 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.25 -31.09 68.69 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 114.704 0.642 . . . . 0.0 114.704 -174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 4.3 m-20 -98.21 9.98 41.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 117.002 0.401 . . . . 0.0 111.892 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 65.79 25.12 11.37 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 121.953 0.882 . . . . 0.0 109.782 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 14.5 t-80 81.85 -9.4 1.23 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.348 1.859 . . . . 0.0 112.021 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -101.82 -139.13 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.55 127.77 30.06 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 172.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 10.7 ptmt -77.25 155.93 31.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-O 121.656 0.741 . . . . 0.0 111.296 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 26.3 ttpt -63.23 -30.33 71.5 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.594 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -67.27 -31.02 71.06 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.91 0.386 . . . . 0.0 110.023 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 28' ' ' LYS . 12.4 mm-40 -81.48 -18.92 43.48 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.081 -0.387 . . . . 0.0 110.115 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.78 -29.47 69.45 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB2' HD23 ' A' ' 60' ' ' LEU . 2.8 tmmm? -55.92 -55.46 32.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.771 0.796 . . . . 0.0 110.16 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.55 -34.33 77.66 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.3 -52.64 64.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.625 HG22 HD12 ' A' ' 40' ' ' LEU . 20.6 pt -65.94 -39.96 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.28 -36.36 63.57 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -110.01 -55.14 2.49 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.2 -18.17 59.19 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.43 0.692 . . . . 0.0 112.183 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.625 HD12 HG22 ' A' ' 36' ' ' ILE . 3.5 tt -100.83 -55.07 2.66 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -40.32 124.86 2.0 Allowed 'General case' 0 C--O 1.241 0.627 0 C-N-CA 125.533 1.533 . . . . 0.0 114.294 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.464 ' ND1' ' HG2' ' B' ' 4' ' ' GLU . 50.0 p-80 -171.9 118.39 0.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.462 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 43.85 73.71 0.14 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.943 1.297 . . . . 0.0 113.175 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.46 -176.09 2.89 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.469 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 72.36 19.1 4.42 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.857 1.663 . . . . 0.0 111.834 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -129.38 -15.42 4.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 81' ' ' THR . 56.4 mt -96.35 -84.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.535 -171.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.6 69.8 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -28.21 1.84 Allowed 'General case' 0 C--N 1.27 -2.873 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.152 -170.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -53.91 -36.33 62.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.7 -46.97 28.19 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.41 0.624 . . . . 0.0 109.453 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.75 -47.59 90.31 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.232 -173.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 57' ' ' MET . 87.4 t -56.28 -45.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 123.557 0.536 . . . . 0.0 111.245 -176.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.65 -44.53 90.12 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -64.34 -37.47 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.465 . . . . 0.0 110.139 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.49 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.5 t -57.49 -53.28 46.28 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 124.516 1.126 . . . . 0.0 110.108 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.5 mmt -59.73 -37.37 78.73 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 123.317 0.386 . . . . 0.0 111.458 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.28 -61.52 2.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.966 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -61.98 -43.49 98.74 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.313 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.0 tp -52.37 -46.48 66.2 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 124.025 0.93 . . . . 0.0 111.483 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -88.32 -33.62 17.94 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.06 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -71.53 -31.0 66.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.55 -48.88 77.54 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.12 43.03 97.79 Favored Glycine 0 C--O 1.249 1.073 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -87.44 155.04 20.19 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 117.111 0.455 . . . . 0.0 110.821 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.73 -14.41 78.07 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.759 -0.655 . . . . 0.0 114.247 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 12.4 pt-20 -143.28 177.39 8.45 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.41 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 11.7 t -142.33 134.06 26.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 173.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -98.88 166.01 11.5 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.692 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -57.96 -32.18 67.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.186 0.517 . . . . 0.0 110.631 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.1 -38.56 88.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.764 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 45.4 mt-10 -69.25 -40.09 78.06 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.279 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.6 ' O ' HG12 ' A' ' 77' ' ' VAL . 5.2 m-85 -53.2 -53.19 54.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.5 0.5 . . . . 0.0 110.605 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.46 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -54.71 -48.9 71.92 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.004 0.815 . . . . 0.0 111.593 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -59.69 -53.48 57.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.685 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 79.8 m-85 -62.96 -46.46 87.61 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -66.49 -46.71 85.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -73.86 -28.64 61.68 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.239 -0.985 . . . . 0.0 111.741 -175.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.1 ptt? -77.77 -23.59 49.18 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.011 -1.476 . . . . 0.0 111.853 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.3 -52.76 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.044 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 47' ' ' ILE . 22.9 m -86.04 -41.76 14.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 50.6 m -86.8 -39.76 15.6 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.682 -0.636 . . . . 0.0 112.43 -172.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.96 71.9 2.09 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.2 t -84.68 -47.6 10.31 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 103.751 -2.685 . . . . 0.0 103.751 168.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -150.25 167.3 27.35 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--N 1.3 -1.582 0 CA-C-N 119.05 0.841 . . . . 0.0 112.87 -175.35 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 N--CA 1.438 -1.043 0 CA-C-O 119.904 -0.093 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.498 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 47.4 mt-10 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 -164.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 16.9 m . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 120.942 0.401 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.91 -38.78 44.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.32 -37.92 89.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.464 ' HG2' ' ND1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -58.01 -53.98 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 108.891 177.398 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -59.39 -41.11 88.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.287 0.635 . . . . 0.0 111.389 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 10' ' ' LEU . . . -58.9 -48.21 82.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.593 ' SD ' HG22 ' A' ' 77' ' ' VAL . 34.0 ttp -59.62 -46.62 88.45 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.866 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.59 -48.62 86.7 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.921 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.234 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -58.5 -34.07 70.53 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.773 0.321 . . . . 0.0 111.555 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.615 ' O ' HG12 ' B' ' 13' ' ' VAL . 92.9 mt -74.24 -45.13 49.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.948 0.404 . . . . 0.0 111.745 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 pt -74.84 -31.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.488 0.661 . . . . 0.0 110.967 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 33.8 t70 -73.01 -23.76 60.66 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.362 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.615 HG12 ' O ' ' B' ' 10' ' ' LEU . 9.7 p -70.94 -32.74 49.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.649 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.75 -35.52 77.21 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 15.3 t60 -59.68 -54.66 43.79 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.699 0.8 . . . . 0.0 110.998 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 79.3 mt-30 -60.93 -48.67 80.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.526 -178.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.36 27.47 6.21 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.831 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.4 p -60.98 105.15 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.27 89.66 1.39 Allowed Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -35.91 63.08 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 115.302 1.594 . . . . 0.0 115.302 -169.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -114.94 -52.08 2.71 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.11 -27.64 69.84 Favored Glycine 0 N--CA 1.461 0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.915 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.438 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 7.5 m-20 -101.13 9.47 41.97 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 122.841 -0.211 . . . . 0.0 110.674 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.7 tttt 64.03 26.44 14.05 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.111 0.958 . . . . 0.0 109.647 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 80.21 -6.86 1.69 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.85 2.06 . . . . 0.0 111.905 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -103.6 -138.65 0.35 Allowed 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -136.16 126.4 26.44 Favored 'General case' 0 CA--C 1.478 -1.823 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 172.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 10.9 ptmt -75.19 158.88 32.29 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.553 0.692 . . . . 0.0 111.56 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -63.78 -33.77 76.41 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.397 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.07 -30.3 71.24 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 121.542 0.687 . . . . 0.0 109.936 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.51 -18.6 41.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.543 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.496 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -63.05 -28.08 69.84 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -56.3 -56.49 20.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.671 0.748 . . . . 0.0 110.364 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.83 -34.57 78.68 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.94 -49.34 77.84 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.369 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.612 HG22 HD12 ' B' ' 40' ' ' LEU . 21.2 pt -70.34 -37.82 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.07 -40.54 77.08 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -105.88 -52.13 2.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.97 -18.25 50.85 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.972 0.509 . . . . 0.0 112.356 -169.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.612 HD12 HG22 ' B' ' 36' ' ' ILE . 3.6 tt -99.77 -55.33 2.68 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.3 t -41.71 128.52 3.31 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 125.084 1.354 . . . . 0.0 114.578 -170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.5 ' ND1' ' HG2' ' A' ' 4' ' ' GLU . 54.3 p-80 -173.17 120.81 0.36 Allowed 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.955 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 40.94 73.38 0.13 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.962 1.305 . . . . 0.0 113.526 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 98.7 mt -109.59 -174.01 2.4 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.432 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 74.28 11.0 4.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.736 1.614 . . . . 0.0 111.574 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -121.54 -17.82 7.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.836 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.435 HG21 ' O ' ' B' ' 81' ' ' THR . 54.9 mt -93.74 -85.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.353 -172.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.43 68.68 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -21.78 2.74 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.329 -172.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -56.18 -33.11 64.96 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.43 -51.24 10.33 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.2 -47.75 90.89 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.162 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.602 -172.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' B' ' 57' ' ' MET . 94.8 t -56.67 -43.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 O-C-N 123.406 0.441 . . . . 0.0 111.766 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.54 -39.53 77.41 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -66.32 -37.85 86.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 3.6 t -57.16 -54.74 26.4 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 C-N-CA 124.502 1.121 . . . . 0.0 110.111 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.5 mmt -59.0 -36.36 74.79 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 123.252 0.345 . . . . 0.0 111.467 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.65 -61.85 1.85 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -64.0 -42.48 97.17 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.481 HD11 HD12 ' B' ' 32' ' ' LEU . 13.6 tp -51.67 -51.02 59.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.797 0.839 . . . . 0.0 110.98 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.05 -37.91 28.27 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.093 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.04 -35.26 76.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.55 -45.84 90.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.0 56.72 21.71 Favored Glycine 0 CA--C 1.502 -0.773 0 CA-C-N 114.542 -1.208 . . . . 0.0 114.465 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -98.01 152.08 19.65 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.3 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.69 -20.2 67.96 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 114.958 0.743 . . . . 0.0 114.958 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 10.1 pt-20 -139.89 173.36 11.61 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 117.912 0.856 . . . . 0.0 112.202 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.445 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.5 t -139.34 131.36 27.9 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 105.607 -1.998 . . . . 0.0 105.607 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -97.73 169.13 9.89 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.169 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -59.64 -31.6 69.66 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.121 0.486 . . . . 0.0 111.044 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.5 -36.33 82.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.628 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.509 ' O ' ' HD2' ' B' ' 76' ' ' PHE . 44.3 mt-10 -71.25 -40.76 70.8 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.73 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.614 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.3 m-85 -53.18 -54.49 35.13 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.395 0.435 . . . . 0.0 110.754 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.42 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.23 -48.5 71.01 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 124.008 0.817 . . . . 0.0 111.951 178.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -59.48 -53.52 57.17 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.618 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.509 ' HD2' ' O ' ' B' ' 72' ' ' GLU . 81.0 m-85 -62.78 -46.9 85.83 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.614 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.2 p -66.13 -47.19 85.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.419 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.686 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.6 ptt? -76.51 -23.48 53.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.293 -1.363 . . . . 0.0 111.961 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 m -82.41 -52.53 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.435 ' O ' HG21 ' B' ' 47' ' ' ILE . 22.3 m -85.87 -40.81 15.56 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 61.3 m -89.0 -38.64 14.28 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.52 -0.738 . . . . 0.0 112.477 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.45 75.59 1.93 Allowed 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 42.2 t -90.32 -44.92 9.37 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.0 -2.593 . . . . 0.0 104.0 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -155.01 166.65 32.91 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 102.797 -3.038 . . . . 0.0 102.797 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.297 -1.707 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 m . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.171 0.51 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.79 -28.42 24.52 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' B' ' 40' ' ' LEU . 2.7 tm? -69.12 -40.89 78.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.182 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.1 pt-20 -56.69 -44.11 81.17 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.4 -45.84 92.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.782 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.02 96.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.432 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' HG22 ' B' ' 77' ' ' VAL . 57.0 ttp -65.26 -43.35 91.59 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 120.939 0.399 . . . . 0.0 110.753 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 4' ' ' GLU . 78.0 t -60.85 -45.37 98.19 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.051 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -57.45 -52.18 66.43 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 122.814 0.446 . . . . 0.0 111.449 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -56.49 -47.9 78.29 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.258 0.551 . . . . 0.0 111.536 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.11 -41.9 67.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.315 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 17.6 t70 -76.85 -25.28 52.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 9' ' ' ALA . 71.3 t -66.05 -36.44 77.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.835 174.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -72.17 -23.71 61.32 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.216 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 50.3 t60 -65.77 -40.63 92.2 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 121.368 0.604 . . . . 0.0 109.845 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -68.24 -15.27 63.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.224 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.71 146.69 29.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.511 0.672 . . . . 0.0 109.703 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 m -87.7 6.88 32.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.169 0.509 . . . . 0.0 111.725 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 50.68 0.75 Allowed Glycine 0 C--O 1.198 -2.149 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.398 -178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 -41.65 2.4 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.512 172.778 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.24 -39.29 15.56 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.84 -29.31 74.48 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.224 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.21 -165.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 55.1 tttm -81.71 28.38 0.41 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.017 1.727 . . . . 0.0 109.785 -175.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.578 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 24.7 m-70 71.75 8.45 6.11 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.254 1.421 . . . . 0.0 109.927 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -125.97 169.0 13.15 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.99 -17.28 13.63 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' C ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 mptt 74.05 132.49 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.134 1.374 . . . . 0.0 108.265 -168.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 85.0 mttt -63.68 -24.2 67.69 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.146 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 27.3 t -56.4 -41.66 76.66 Favored 'General case' 0 C--O 1.199 -1.564 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.8 -17.35 59.08 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 121.377 -0.827 . . . . 0.0 113.057 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.87 -26.18 67.99 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HB2' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -61.09 -31.2 70.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.075 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -79.69 -33.15 41.34 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 0.0 109.981 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.48 -54.36 37.59 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.285 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' A' ' 40' ' ' LEU . 11.9 pt -63.2 -34.59 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.86 -30.38 70.09 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.696 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -102.91 -57.8 1.98 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 43.5 mm-40 -82.82 -11.19 58.44 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -171.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' A' ' 77' ' ' VAL . 1.4 tt -78.59 -39.44 37.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.887 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -31.65 97.58 0.01 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.373 1.869 . . . . 0.0 114.89 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -140.89 82.54 1.85 Allowed 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.554 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 54.31 73.8 0.37 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.334 1.021 . . . . 0.0 110.441 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 HD22 ' H ' ' A' ' 44' ' ' LEU . 2.4 mm? -60.07 -31.85 70.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.962 -172.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 26.0 mp0 -69.26 -26.19 64.65 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.086 0.47 . . . . 0.0 111.427 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -88.06 -19.47 27.05 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 121.049 0.452 . . . . 0.0 112.148 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -104.44 179.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.134 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -77.35 -81.22 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 53' ' ' VAL . 62.8 mt-10 58.27 -67.84 0.03 OUTLIER 'General case' 0 C--O 1.193 -1.887 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -50.62 -39.19 49.65 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -163.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.93 -35.09 64.57 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.62 0.724 . . . . 0.0 109.676 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG12 HG23 ' A' ' 56' ' ' VAL . 21.3 t -86.91 -31.25 6.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.121 -171.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 57' ' ' MET . 86.4 t -54.21 -53.78 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.232 0.613 . . . . 0.0 111.443 -175.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.6 -41.29 97.22 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 123.503 0.502 . . . . 0.0 111.189 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -66.12 -42.42 89.2 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.453 HG23 HG12 ' A' ' 52' ' ' VAL . 3.5 t -58.21 -49.5 81.51 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.213 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.866 174.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -58.11 -39.78 79.54 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.56 -52.22 58.77 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.247 0.546 . . . . 0.0 110.64 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.2 p -70.41 -44.55 67.69 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 23.7 tp -56.63 -49.2 75.69 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 124.12 0.968 . . . . 0.0 110.751 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.64 -35.62 67.82 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.587 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -80.14 -41.34 25.58 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.28 -48.07 45.28 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -81.46 62.68 4.46 Favored Glycine 0 CA--C 1.498 -1.029 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.5 -176.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.71 -37.05 85.35 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 124.386 1.074 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.445 ' HA2' ' HE3' ' A' ' 28' ' ' LYS . . . -131.78 -32.52 0.46 Allowed Glycine 0 N--CA 1.431 -1.654 0 C-N-CA 120.031 -1.08 . . . . 0.0 114.219 -177.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 6.6 mm-40 -114.49 149.1 36.89 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.123 -171.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.559 ' HB2' ' C ' ' A' ' 28' ' ' LYS . 45.4 t -149.25 123.23 9.39 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.6 -176.73 3.03 Favored 'General case' 0 C--N 1.283 -2.315 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 2.1 p90 -75.73 -17.68 59.84 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.214 0.53 . . . . 0.0 111.905 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -77.15 -38.38 51.99 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.043 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 2.4 mp0 -71.84 -29.58 64.55 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -55.55 -54.23 46.65 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -47.45 85.66 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.474 0.654 . . . . 0.0 111.34 175.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.91 10.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.253 74.8 m-85 -66.25 -37.65 86.0 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -174.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.627 HG23 ' HG ' ' A' ' 40' ' ' LEU . 4.7 p -64.87 -47.63 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.346 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.11 76.75 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.598 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 27.1 ptm -79.36 -23.25 43.49 Favored 'General case' 0 C--O 1.196 -1.726 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.33 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.16 -37.75 13.22 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.963 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.543 ' OG1' HD21 ' A' ' 40' ' ' LEU . 94.5 m -74.55 -59.25 2.81 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.145 0.578 . . . . 0.0 112.221 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 m -86.45 -60.66 1.93 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -173.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 58.59 128.2 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.5 t 68.85 -46.32 0.55 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.851 1.661 . . . . 0.0 113.351 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.7 85.32 2.32 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 123.538 0.735 . . . . 0.0 109.562 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--N 1.303 -1.438 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.406 -178.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 117.48 -1.248 . . . . 0.0 111.597 -172.22 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.591 ' O ' ' HG2' ' B' ' 4' ' ' GLU . 26.9 m . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.119 0.485 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -85.03 -27.66 26.24 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 40' ' ' LEU . 2.6 tm? -67.68 -41.02 84.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.303 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' B' ' 1' ' ' SER . 15.3 pt-20 -58.38 -42.15 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -62.52 -44.76 95.58 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.975 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.83 92.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.201 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.505 ' SD ' HG22 ' A' ' 77' ' ' VAL . 57.7 ttp -64.22 -44.13 92.84 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.003 0.43 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.56 -43.85 95.41 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.618 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.409 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -57.24 -53.05 62.51 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.286 0.366 . . . . 0.0 111.526 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.56 -47.11 80.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.244 0.545 . . . . 0.0 111.487 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.97 -42.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.225 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 19.2 t70 -76.98 -22.71 52.75 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 9' ' ' ALA . 63.3 t -67.87 -37.38 78.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 121.659 -0.651 . . . . 0.0 109.591 173.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -71.68 -26.79 62.66 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.947 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 69.3 t60 -62.25 -43.47 98.76 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 121.348 0.594 . . . . 0.0 109.915 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -63.18 -22.71 67.04 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.885 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.18 144.66 40.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.18 0.514 . . . . 0.0 110.829 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -79.22 2.35 21.46 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.16 58.11 0.42 Allowed Glycine 0 C--O 1.198 -2.14 0 C-N-CA 119.637 -1.268 . . . . 0.0 114.089 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -127.1 -46.16 1.53 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.248 172.323 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.36 -40.77 20.89 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.77 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.918 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.36 -163.71 1.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' B' ' 24' ' ' LYS . 58.1 tttm -83.45 29.74 0.5 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.891 1.676 . . . . 0.0 109.122 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' B' ' 20' ' ' ARG . 31.8 m-70 70.48 7.37 6.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.91 1.284 . . . . 0.0 109.906 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 8.9 mmpt? -123.78 172.27 8.99 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.44 -18.54 12.42 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.528 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.7 mptt 73.53 131.82 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.17 1.388 . . . . 0.0 108.175 -168.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 81.3 mttt -63.68 -22.55 66.96 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.176 -0.328 . . . . 0.0 111.173 -176.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 34.0 t -56.93 -43.56 81.6 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.14 -17.15 60.46 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.469 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.43 -26.31 68.43 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 172.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.594 ' HB2' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -60.99 -34.16 74.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 174.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -74.13 -38.42 63.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.494 0.664 . . . . 0.0 109.476 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.38 -54.36 46.55 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.776 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.469 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.7 pt -64.04 -32.1 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.41 -31.44 67.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.325 0.583 . . . . 0.0 110.836 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -106.56 -60.66 1.63 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 49.3 mm-40 -78.19 -8.69 58.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -171.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.63 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.5 tt -80.74 -38.06 29.4 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.962 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -31.51 93.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.649 1.98 . . . . 0.0 115.251 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -139.49 80.23 1.76 Allowed 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.804 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 57.22 74.71 0.4 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.429 1.091 . . . . 0.0 111.089 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.457 ' H ' HD22 ' B' ' 44' ' ' LEU . 2.3 mm? -60.7 -35.66 76.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.537 -172.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -20.34 64.99 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.485 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.15 3.28 40.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.852 -173.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 pt -126.68 173.07 13.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.092 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -72.41 -78.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.454 ' O ' HG23 ' B' ' 53' ' ' VAL . 60.0 mt-10 54.02 -71.59 0.01 OUTLIER 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 177.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.13 -41.06 25.58 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -163.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.97 -38.9 76.2 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.958 0.885 . . . . 0.0 109.994 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.414 HG12 HG23 ' B' ' 56' ' ' VAL . 23.3 t -84.4 -30.21 7.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.946 -171.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' B' ' 57' ' ' MET . 86.6 t -54.27 -53.09 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.264 0.625 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 31.4 m-20 -65.58 -37.5 86.84 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.026 -176.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.39 -39.77 81.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.386 0.612 . . . . 0.0 109.702 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.414 HG23 HG12 ' B' ' 52' ' ' VAL . 3.5 t -59.66 -49.66 82.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.192 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.555 173.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.594 ' SD ' ' HB2' ' B' ' 33' ' ' LYS . 24.2 mmt -58.09 -38.34 76.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 42.6 mt-10 -63.46 -54.75 31.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 110.388 177.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 14.9 p -69.65 -45.56 68.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 21.8 tp -55.95 -47.13 78.15 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.237 1.015 . . . . 0.0 110.747 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.16 -36.97 64.14 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.499 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -78.06 -43.05 30.33 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.98 0.419 . . . . 0.0 112.025 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.2 -41.08 58.64 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.851 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -84.9 60.74 4.77 Favored Glycine 0 CA--C 1.495 -1.165 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.815 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.11 -37.99 89.24 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 124.472 1.109 . . . . 0.0 111.061 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.19 -29.07 0.52 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.031 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 9.3 mm-40 -114.86 148.21 38.86 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -171.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C ' ' B' ' 28' ' ' LYS . 42.1 t -150.81 123.17 8.39 Favored 'General case' 0 CA--C 1.476 -1.901 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 162.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.64 -174.63 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -77.08 -17.65 58.56 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.91 -36.32 56.73 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.745 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.95 -30.06 62.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.555 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -55.8 -52.76 62.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.452 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -48.01 83.44 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.414 0.626 . . . . 0.0 111.353 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -55.93 28.36 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.413 ' HA ' ' HG2' ' B' ' 79' ' ' MET 0.268 74.0 m-85 -67.4 -36.65 81.72 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -174.133 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.63 HG23 ' HG ' ' B' ' 40' ' ' LEU . 4.6 p -65.87 -46.69 87.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.213 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.17 78.42 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.608 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptm -78.9 -23.08 45.0 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.497 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.98 -38.7 14.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 118.048 -1.461 . . . . 0.0 109.904 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.515 ' OG1' HD21 ' B' ' 40' ' ' LEU . 91.8 m -74.32 -59.41 2.74 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 123.03 0.532 . . . . 0.0 112.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.2 m -85.32 -63.5 1.32 Allowed 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.887 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 60.96 127.7 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.5 t 69.15 -45.02 0.55 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.945 1.698 . . . . 0.0 113.307 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.94 80.66 1.67 Allowed 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 123.609 0.763 . . . . 0.0 110.213 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--N 1.312 -1.054 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.362 -179.314 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 39' ' ' GLU . 16.2 m . . . . . 0 C--O 1.257 1.462 0 CA-C-O 121.581 0.705 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.74 -44.93 70.33 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 125.336 1.455 . . . . 0.0 112.004 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 40' ' ' LEU . 4.6 mm? -66.53 -28.64 68.71 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.79 -58.92 6.13 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.398 0.436 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -25.33 67.08 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.49 -55.62 5.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttp -68.52 -34.61 76.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -66.13 -30.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB1' ' HG3' ' B' ' 2' ' ' GLU . . . -71.02 -35.04 71.87 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.602 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.93 -34.59 78.47 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 70.7 mt -71.76 -41.22 70.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.281 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.602 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 30.1 t70 -64.37 -29.71 70.77 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.97 0.891 . . . . 0.0 110.295 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.89 -35.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 13.4 m-85 -80.52 -9.37 59.77 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.814 0.816 . . . . 0.0 109.702 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 17.7 t60 -83.03 -43.46 16.31 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -76.27 -46.44 27.98 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.483 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -96.33 126.06 41.27 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -151.39 106.74 3.33 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 121.379 0.609 . . . . 0.0 111.553 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.93 53.77 1.91 Allowed Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.558 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.4 ptt180 -59.37 -52.44 65.6 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.437 -0.881 . . . . 0.0 113.118 -173.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' OE1' ' HG3' ' A' ' 20' ' ' ARG . 8.5 mp0 -90.01 -50.82 5.8 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.187 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.04 -44.35 67.68 Favored Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -171.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' HD3' ' A' ' 28' ' ' LYS . 21.5 m-20 -101.18 34.66 2.46 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 112.045 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 61.69 33.31 18.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 111.415 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 41.2 t-80 82.94 -1.95 1.26 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.764 1.626 . . . . 0.0 113.295 174.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 7.0 mmpt? -120.91 -171.4 2.18 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.871 -0.518 . . . . 0.0 110.292 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.96 -35.42 13.31 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -171.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 30' ' ' SER . 13.8 mptt 63.99 174.67 0.18 Allowed 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.904 0.859 . . . . 0.0 110.754 -174.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.39 -19.05 59.77 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.929 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 4.7 m -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.26 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.09 -18.4 37.0 Favored 'General case' 0 CA--C 1.502 -0.868 0 C-N-CA 118.433 -1.307 . . . . 0.0 112.081 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD13 HG23 ' A' ' 36' ' ' ILE . 2.2 tm? -62.76 -26.99 68.98 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 30' ' ' SER . 4.2 ttmm -56.63 -55.49 33.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.47 1.108 . . . . 0.0 110.787 173.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.92 -27.71 68.39 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.243 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 40' ' ' LEU . 29.3 tp -66.05 -58.38 5.62 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.85 176.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.567 ' HA ' HD13 ' A' ' 40' ' ' LEU . 10.2 pt -55.66 -41.1 63.37 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 123.604 0.762 . . . . 0.0 113.024 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -73.58 -33.26 64.55 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -117.21 -78.41 0.58 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -76.96 -12.09 59.9 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.546 0.689 . . . . 0.0 112.691 -169.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 36' ' ' ILE . 8.0 tt -78.35 -42.43 30.55 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.006 0.431 . . . . 0.0 110.279 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 69.3 p -135.01 -166.28 1.8 Allowed 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.942 -166.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -99.58 -47.56 5.06 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 170.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -167.38 -55.92 0.03 OUTLIER 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.233 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD12 ' HG2' ' A' ' 49' ' ' GLU . 3.0 mm? 68.79 127.75 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.92 1.288 . . . . 0.0 111.569 -173.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -122.63 -86.6 0.65 Allowed 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -169.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -138.54 40.47 2.22 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.174 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -88.35 -49.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 120.74 0.305 . . . . 0.0 111.078 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -174.15 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.529 ' HG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -51.3 -31.23 20.71 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 126.909 2.084 . . . . 0.0 113.68 175.297 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -48.01 -35.32 10.81 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.433 1.093 . . . . 0.0 112.484 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -43.77 69.24 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.518 HG11 ' O ' ' A' ' 79' ' ' MET . 22.1 t -81.71 -30.22 10.46 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.493 -174.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 56' ' ' VAL . 77.1 t -60.63 -40.9 86.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.006 0.432 . . . . 0.0 110.742 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.22 -42.63 83.74 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.488 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.67 -33.39 75.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.304 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.4 p -70.49 -35.29 61.18 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.1 mmt -67.47 -39.23 85.26 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.84 -55.22 20.84 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -63.13 -39.07 93.61 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.0 0.52 . . . . 0.0 111.28 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.678 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 4.9 tp -51.78 -51.21 58.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.249 1.02 . . . . 0.0 109.794 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -72.23 -38.48 68.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.763 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.88 -59.95 3.88 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.076 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.34 -51.86 13.9 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.414 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.68 -86.68 0.07 OUTLIER Glycine 0 C--O 1.258 1.623 0 O-C-N 123.88 0.738 . . . . 0.0 113.829 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.98 172.28 8.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.63 0.772 . . . . 0.0 109.273 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.51 96.8 2.43 Favored Glycine 1 N--CA 1.394 -4.143 0 N-CA-C 104.45 -3.46 . . . . 0.0 104.45 -169.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.24 101.27 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.284 1.226 . . . . 0.0 111.167 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 t -79.99 122.93 27.34 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -140.6 -159.83 1.0 Allowed 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -51.01 -32.74 22.29 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -72.11 -55.18 7.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.226 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 50.4 mt-10 -68.26 -33.22 73.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.544 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 77' ' ' VAL . 8.4 m-85 -54.05 -55.53 26.56 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.325 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.9 99.44 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.308 0.38 . . . . 0.0 111.169 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.67 85.8 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.538 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 32.7 m-85 -76.01 -45.17 35.9 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 73' ' ' PHE . 5.8 p -62.94 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -71.57 -24.33 61.9 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.587 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.607 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 22.3 ptt? -85.12 -29.66 24.65 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.398 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.98 -43.13 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.716 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.53 -57.71 3.03 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.397 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 24.1 m -81.63 -68.2 0.71 Allowed 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.491 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 58.91 -84.76 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.819 1.248 . . . . 0.0 111.711 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.72 118.3 15.92 Favored 'General case' 0 N--CA 1.414 -2.255 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.7 m80 56.06 89.52 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 82' ' ' THR . 76.5 mm-40 . . . . . 0 C--N 1.318 -0.794 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.237 0.413 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -169.432 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.454 ' HB2' ' HG3' ' B' ' 4' ' ' GLU . 12.9 m . . . . . 0 C--O 1.265 1.89 0 CA-C-O 121.292 0.568 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.436 ' HG3' ' HB1' ' A' ' 9' ' ' ALA . 5.4 tp10 -55.53 -43.68 75.97 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.279 1.031 . . . . 0.0 111.998 -172.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 mm? -66.74 -29.29 69.22 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' B' ' 1' ' ' SER . 50.7 mt-10 -60.19 -58.99 6.17 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 123.475 0.484 . . . . 0.0 110.36 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -24.61 67.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.434 -175.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.16 -55.13 5.7 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.266 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttp -68.72 -34.98 76.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.76 -30.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.1 71.49 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.407 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.22 -34.68 78.57 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.4 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 88.7 mt -72.2 -41.65 66.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.079 176.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 32.7 t70 -65.65 -25.52 67.39 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 122.046 0.927 . . . . 0.0 110.309 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.7 -34.82 72.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.574 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 14.5 m-85 -78.77 -13.33 59.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.146 0.974 . . . . 0.0 109.001 176.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.576 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 24.9 t60 -77.76 -44.5 27.49 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.792 -1.094 . . . . 0.0 108.582 175.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -75.11 -48.23 24.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.95 121.66 35.64 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -143.17 113.75 7.47 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.376 0.608 . . . . 0.0 110.991 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.67 47.8 1.07 Allowed Glycine 0 CA--C 1.495 -1.209 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.53 ' HA ' ' HA ' ' B' ' 25' ' ' HIS . 7.8 ptt180 -54.39 -50.68 66.97 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.506 1.122 . . . . 0.0 112.974 -174.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.431 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 2.0 mp0 -92.05 -56.07 3.21 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.005 0.431 . . . . 0.0 111.604 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.96 80.58 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 115.6 1.0 . . . . 0.0 115.6 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.59 32.74 2.46 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.566 0.698 . . . . 0.0 112.183 -173.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 61.88 37.37 15.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.467 1.107 . . . . 0.0 111.44 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' B' ' 20' ' ' ARG . 32.4 t-80 79.74 -1.26 2.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.272 1.429 . . . . 0.0 113.138 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 6.5 mmpt? -124.22 -173.78 2.85 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.961 -0.462 . . . . 0.0 110.258 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.84 -36.72 14.05 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -170.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 64.38 175.25 0.19 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.881 0.848 . . . . 0.0 110.856 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.54 -19.19 59.49 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.166 174.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 11.7 m -63.54 -36.61 84.35 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.516 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.13 -18.78 33.16 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.32 -1.352 . . . . 0.0 112.126 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.8 -27.8 69.43 Favored 'General case' 0 CA--C 1.563 1.465 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.509 ' HB2' HD21 ' B' ' 60' ' ' LEU . 4.2 ttmm -55.67 -55.76 28.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.737 1.215 . . . . 0.0 110.487 174.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.3 -28.69 69.49 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.411 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' B' ' 40' ' ' LEU . 29.7 tp -66.09 -57.65 7.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.842 177.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.589 HG22 HD13 ' B' ' 40' ' ' LEU . 8.3 pt -55.09 -40.09 53.23 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 123.35 0.66 . . . . 0.0 112.636 -177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -75.34 -36.95 60.94 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.938 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -110.29 -77.52 0.59 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -170.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 1' ' ' SER . 11.6 tp10 -83.18 -11.43 57.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -168.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.589 HD13 HG22 ' B' ' 36' ' ' ILE . 8.0 tt -78.26 -45.89 21.68 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.205 0.526 . . . . 0.0 109.992 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.523 ' HB2' ' CD2' ' B' ' 44' ' ' LEU . 69.4 p -132.99 -168.77 2.13 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.065 -168.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -94.35 -57.68 2.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -157.78 -59.42 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.972 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' B' ' 41' ' ' SER 0.268 3.2 mm? 73.41 127.88 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.71 1.604 . . . . 0.0 111.406 -174.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -125.93 -85.1 0.63 Allowed 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -167.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.06 41.23 2.29 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.432 -171.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.92 -53.69 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 122.026 -0.421 . . . . 0.0 111.133 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -172.27 -44.76 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.508 ' HG2' HD12 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -49.17 -32.25 9.88 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 126.935 2.094 . . . . 0.0 113.974 173.383 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -47.63 -34.44 7.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.695 1.198 . . . . 0.0 112.699 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.12 -45.46 63.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.472 HG11 ' O ' ' B' ' 79' ' ' MET . 22.0 t -79.37 -30.8 14.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.412 -174.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 56' ' ' VAL . 92.5 t -60.46 -42.43 91.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.959 0.409 . . . . 0.0 110.508 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.27 -40.18 93.58 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.802 0.811 . . . . 0.0 109.517 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -69.28 -32.76 72.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.113 -0.949 . . . . 0.0 113.358 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.697 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.3 p -70.47 -34.08 56.27 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.568 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.6 mmt -68.54 -39.55 81.07 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.72 -56.21 17.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.526 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.3 p -63.48 -38.93 93.01 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.805 0.442 . . . . 0.0 111.668 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.697 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 4.9 tp -50.74 -51.45 50.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.168 0.987 . . . . 0.0 109.658 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.0 -41.67 70.64 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 113.791 -1.55 . . . . 0.0 112.192 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.27 -58.32 6.87 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.95 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.78 -53.68 9.74 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.037 -174.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -85.82 0.07 OUTLIER Glycine 0 C--O 1.26 1.762 0 CA-C-N 115.683 -0.689 . . . . 0.0 113.816 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.33 168.74 10.06 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.394 1.078 . . . . 0.0 109.578 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.89 96.3 2.44 Favored Glycine 0 N--CA 1.402 -3.617 0 N-CA-C 104.945 -3.262 . . . . 0.0 104.945 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.28 101.74 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.46 1.33 . . . . 0.0 111.156 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 t -80.42 119.88 23.7 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.43 -159.85 1.0 Allowed 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.54 -35.49 41.04 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -68.47 -51.58 41.91 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.3 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.475 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 50.8 mt-10 -71.02 -34.35 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.163 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.619 ' O ' HG12 ' B' ' 77' ' ' VAL . 8.4 m-85 -54.38 -53.27 56.23 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.28 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -43.05 99.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.471 0.482 . . . . 0.0 111.377 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.0 71.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.057 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.475 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 32.1 m-85 -68.93 -43.73 74.52 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.619 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -64.78 -45.36 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.932 0.396 . . . . 0.0 111.982 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -71.83 -26.59 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.639 -176.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.589 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 23.1 ptt? -81.86 -32.53 31.05 Favored 'General case' 0 C--O 1.205 -1.287 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.262 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.81 -43.65 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.22 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 57.5 m -84.27 -55.74 4.02 Favored 'General case' 0 N--CA 1.423 -1.822 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.366 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.566 ' HA ' ' HG3' ' B' ' 86' ' ' GLU . 17.8 m -83.27 -69.49 0.63 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.788 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 58.24 -87.4 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.4 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 m -133.43 119.5 19.69 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 m80 57.17 89.45 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' B' ' 82' ' ' THR . 75.1 mm-40 . . . . . 0 C--N 1.315 -0.934 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 169.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.487 ' HA ' ' OE2' ' A' ' 4' ' ' GLU . 35.9 p . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 120.591 0.234 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.92 -45.59 67.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.92 0.39 . . . . 0.0 110.161 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 3.4 tm? -76.43 -34.14 58.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' OE2' ' HA ' ' A' ' 1' ' ' SER . 43.3 mt-10 -54.02 -41.97 68.61 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 124.069 0.856 . . . . 0.0 109.315 177.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.49 -55.33 9.21 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.589 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.53 66.79 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.4 ttp -67.83 -37.2 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.082 0.468 . . . . 0.0 111.167 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.97 -39.04 76.97 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.007 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.88 88.16 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.55 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.26 4.4 pp -66.72 -31.34 71.94 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.3 pt -84.21 -25.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.52 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.77 -39.05 24.7 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.714 -176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.82 -31.36 53.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.27 -53.65 52.1 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -58.59 -52.76 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.956 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -78.63 -9.06 59.24 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.22 -33.7 61.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.052 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB2' HD21 ' A' ' 27' ' ' LEU . 49.7 m -150.5 90.53 1.65 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.28 -35.34 23.81 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.971 -172.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.494 ' HG3' ' OE2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -64.33 -27.23 68.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.858 0.829 . . . . 0.0 111.162 -175.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' OE2' ' HG3' ' A' ' 20' ' ' ARG . 1.1 pm0 -97.56 -54.12 3.23 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.68 -45.51 78.07 Favored Glycine 0 C--N 1.314 -0.64 0 O-C-N 124.22 0.95 . . . . 0.0 114.755 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -20.61 66.07 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.455 0.645 . . . . 0.0 111.421 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -99.62 -45.46 5.77 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.871 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -150.36 40.52 0.77 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.887 -173.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.44 -170.39 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.366 0.603 . . . . 0.0 110.086 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 18' ' ' SER . 91.0 mt -115.51 138.27 51.2 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 174.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -75.32 155.02 37.02 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.314 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 63.0 mttp -57.63 -25.35 60.01 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -176.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.597 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 1.5 m -63.07 -25.64 68.46 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 122.861 0.464 . . . . 0.0 110.578 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.53 -28.23 26.82 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.865 0.84 . . . . 0.0 109.169 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.2 tm? -64.14 -27.75 69.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.053 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -52.33 -45.86 65.82 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 124.854 1.262 . . . . 0.0 111.816 175.49 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.546 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.8 mt-10 -77.28 -33.5 55.79 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.279 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' HD13 ' A' ' 40' ' ' LEU . 37.6 tp -66.16 -33.03 74.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.667 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 7.6 pt -73.44 -38.34 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 176.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.59 -30.81 70.91 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 123.673 0.608 . . . . 0.0 111.414 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.46 -55.58 2.37 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -173.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -102.82 -50.85 3.43 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.472 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.667 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.7 mp -63.81 -35.36 80.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -125.54 102.21 7.27 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -110.26 20.37 17.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 79.2 m-85 -119.61 -60.13 1.75 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.623 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp 65.2 -59.24 0.27 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.565 1.546 . . . . 0.0 114.811 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.92 -23.73 44.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.371 0.605 . . . . 0.0 111.81 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 21.7 mm-40 -83.2 -168.74 2.21 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 48' ' ' LYS . 3.3 mt 59.68 -144.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' H ' HG22 ' A' ' 47' ' ' ILE . 24.9 tptp -169.98 83.58 0.11 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.1 pt-20 -146.15 7.36 1.03 Allowed 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.829 -170.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.89 -28.61 69.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -74.78 -50.98 15.33 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 80' ' ' VAL . 48.1 t -64.25 -39.81 86.83 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.738 -175.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.483 ' O ' ' HG2' ' A' ' 57' ' ' MET . 74.2 t -57.19 -40.41 73.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 O-C-N 123.423 0.452 . . . . 0.0 111.529 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.74 -43.3 76.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.824 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.03 -36.52 84.25 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.964 0.888 . . . . 0.0 109.952 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.58 -44.75 97.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.91 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.137 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.5 mmt -63.74 -22.6 66.99 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -76.66 -59.16 2.89 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.781 0.801 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 p -64.75 -41.6 95.79 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.804 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 18.4 tp -59.31 -39.7 83.87 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 123.249 0.62 . . . . 0.0 110.335 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.16 -47.61 56.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.704 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.79 -54.98 14.86 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.005 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.13 -14.54 61.4 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -77.05 51.93 3.25 Favored Glycine 0 C--N 1.301 -1.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.157 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.47 -36.54 26.41 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 120.972 0.415 . . . . 0.0 111.019 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.34 -62.3 0.12 Allowed Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.164 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.42 -179.24 6.29 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.333 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -125.75 122.74 37.11 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HB3' ' HG3' ' A' ' 72' ' ' GLU . 17.5 t70 -80.78 162.07 24.22 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -60.34 -31.06 69.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.473 0.654 . . . . 0.0 110.484 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.27 -36.9 74.71 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.049 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 55.2 mt-10 -72.2 -26.91 62.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.363 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' HG12 ' A' ' 77' ' ' VAL . 4.6 t80 -56.08 -58.86 6.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -41.54 99.27 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.014 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.25 -55.09 37.53 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -65.74 -41.63 91.93 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 73' ' ' PHE . 14.9 p -74.48 -40.34 48.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.083 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -26.81 61.57 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 121.707 -0.62 . . . . 0.0 111.138 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -79.67 -26.77 40.89 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.053 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 52' ' ' VAL . 26.9 m -76.51 -53.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.553 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.465 ' HA ' HG21 ' A' ' 47' ' ' ILE . 55.5 m -82.95 -38.43 22.75 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 m -99.47 -50.12 4.2 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.55 -24.65 57.31 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -173.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.409 ' SG ' HG21 ' A' ' 52' ' ' VAL . 65.8 m -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -132.79 -21.4 2.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.091 -0.381 . . . . 0.0 111.013 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 CA--C 1.512 -0.5 0 C-N-CA 124.42 1.088 . . . . 0.0 108.859 -176.805 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 . . . . . 0 N--CA 1.429 -1.494 0 CA-C-O 119.77 -0.157 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 N--CA 1.476 0.868 0 O-C-N 124.548 1.155 . . . . 0.0 108.331 -173.684 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 15.2 p . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 3.4 tm? -75.8 -33.94 60.15 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.94 -39.08 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.894 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 1' ' ' SER . 53.2 mtmt -72.9 -56.49 5.12 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.682 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.28 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.49 -37.99 80.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.406 -176.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.24 -38.24 69.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.727 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.82 90.41 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.799 0.44 . . . . 0.0 111.62 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . 0.262 4.3 pp -67.79 -30.75 70.26 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.0 pt -84.39 -27.09 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 119.34 -0.944 . . . . 0.0 110.583 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -76.64 -42.32 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.37 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.26 -54.39 34.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.11 -52.44 65.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.002 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.9 -9.18 59.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.318 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.43 ' HB3' ' CD ' ' B' ' 21' ' ' GLU . 49.0 m -151.63 93.95 1.93 Allowed 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.2 -10.04 59.98 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.45 ' HG3' ' OE1' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -82.02 -24.45 35.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.878 1.339 . . . . 0.0 109.32 -179.281 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -102.75 -55.55 2.41 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.249 178.273 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.54 -44.36 67.67 Favored Glycine 0 N--CA 1.467 0.756 0 O-C-N 124.103 0.877 . . . . 0.0 114.15 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.81 -26.42 68.73 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.463 0.649 . . . . 0.0 111.183 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -96.48 -54.62 3.19 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.01 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -142.02 41.2 1.66 Allowed 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.557 -173.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmpp? 62.95 -172.79 0.16 Allowed 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.399 0.618 . . . . 0.0 110.599 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' B' ' 18' ' ' SER . 90.0 mt -112.99 140.04 48.14 Favored 'General case' 0 CA--C 1.473 -2.013 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -77.84 155.79 30.81 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.547 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.447 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 63.8 mttp -57.44 -25.32 59.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.568 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 9.5 m -64.37 -24.86 67.79 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -84.53 -26.48 28.04 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.011 0.91 . . . . 0.0 108.917 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.447 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.2 tm? -66.42 -27.68 68.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.051 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.568 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.5 OUTLIER -52.87 -46.99 68.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 0.0 111.715 175.316 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.506 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 50.6 mt-10 -73.74 -34.73 64.87 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.737 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' B' ' 40' ' ' LEU . 35.3 tp -67.14 -34.93 78.62 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.052 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.673 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 8.0 pt -72.41 -38.93 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.46 -25.28 67.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 123.471 0.482 . . . . 0.0 111.984 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.51 -54.42 2.49 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -105.01 -52.88 2.76 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.399 -0.521 . . . . 0.0 112.2 -173.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.673 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.9 mp -62.99 -33.59 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.188 -174.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -129.37 96.36 4.27 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 172.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -101.58 9.98 40.69 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.127 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' B' ' 46' ' ' GLU . 64.3 m-85 -110.67 -59.11 2.0 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.333 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp 65.57 -66.5 0.15 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.15 1.38 . . . . 0.0 113.844 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.35 -24.16 62.05 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.149 0.5 . . . . 0.0 111.568 -175.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' B' ' 43' ' ' PHE . 30.9 mm-40 -80.3 -169.38 2.06 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.961 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' B' ' 81' ' ' THR . 4.3 mt 61.11 -137.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.44 ' H ' HG22 ' B' ' 47' ' ' ILE . 22.7 tptp -174.93 79.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.885 1.274 . . . . 0.0 107.571 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' B' ' 80' ' ' VAL . 7.8 pt-20 -140.18 8.62 2.27 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.663 -171.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -61.54 -33.72 74.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 0.0 111.119 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -47.91 61.13 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.439 HG12 HG12 ' B' ' 80' ' ' VAL . 44.7 t -65.4 -41.11 90.38 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.467 -174.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.6 t -56.82 -40.5 71.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 O-C-N 123.336 0.398 . . . . 0.0 111.507 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.58 -45.65 78.57 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.337 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.532 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 56.0 mtpt -64.83 -33.99 77.3 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.954 0.883 . . . . 0.0 110.056 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.088 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.8 mmt -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.532 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 42.6 mt-10 -74.22 -58.38 3.34 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.644 0.735 . . . . 0.0 109.076 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 p -65.24 -42.1 93.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.887 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' B' ' 29' ' ' LYS . 18.5 tp -60.15 -37.67 80.83 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.372 0.669 . . . . 0.0 110.162 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.17 -53.58 19.32 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.479 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.9 -50.41 49.87 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.873 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -13.7 61.1 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 121.582 0.706 . . . . 0.0 110.573 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -80.78 65.34 3.94 Favored Glycine 0 C--N 1.291 -1.952 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.97 -43.14 10.15 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.087 0.47 . . . . 0.0 110.568 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.5 -59.91 0.19 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.195 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -143.71 -178.35 5.86 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -175.626 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.33 123.09 30.93 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.9 164.81 18.15 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.144 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -59.25 -32.76 70.29 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 122.975 0.51 . . . . 0.0 111.015 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -69.2 -36.89 77.77 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.085 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.46 -28.43 62.93 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.249 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.466 ' O ' HG12 ' B' ' 77' ' ' VAL . 4.3 t80 -55.18 -58.55 7.21 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -41.67 98.79 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.247 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.31 -57.14 13.04 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.008 0.523 . . . . 0.0 112.255 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 73' ' ' PHE . 13.6 p -73.49 -40.52 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.032 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.42 -27.13 62.15 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -80.08 -26.11 39.75 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 118.353 -1.339 . . . . 0.0 112.237 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 28.2 m -77.19 -51.92 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.17 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.481 ' HA ' HG21 ' B' ' 47' ' ' ILE . 60.7 m -84.24 -35.72 23.22 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -103.84 -46.12 4.58 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -173.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.97 -18.29 56.47 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.58 -29.4 66.93 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -121.82 -14.16 8.14 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.908 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.471 0.618 0 O-C-N 124.144 0.903 . . . . 0.0 109.153 -178.551 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.447 ' HB3' ' HA ' ' B' ' 39' ' ' GLU . 51.0 m . . . . . 0 CA--C 1.557 1.212 0 CA-C-O 121.502 0.667 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -90.75 -48.16 7.21 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.163 -0.961 . . . . 0.0 110.764 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.4 tm? -63.57 -29.67 70.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 22.4 tt0 -53.54 -56.35 17.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.08 173.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -63.18 -27.61 69.48 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.461 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -64.41 -48.74 74.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.961 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -60.4 -41.53 94.07 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.687 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.97 -39.85 86.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.212 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -64.82 -37.56 88.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.852 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.757 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 3.9 mm? -59.19 -45.07 92.03 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.966 0.412 . . . . 0.0 111.672 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.3 pt -80.63 -32.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.668 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.3 t70 -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.75 0.309 . . . . 0.0 111.761 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.95 -30.32 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.514 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -75.04 -29.9 60.91 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 14.7 t60 -64.98 -38.2 90.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.27 1.028 . . . . 0.0 110.171 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -55.77 -40.06 72.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.694 0.759 . . . . 0.0 109.827 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.28 -161.6 0.85 Allowed 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 140.76 22.48 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.425 -0.797 . . . . 0.0 110.963 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.86 79.93 1.39 Allowed Glycine 0 N--CA 1.428 -1.882 0 N-CA-C 107.953 -2.059 . . . . 0.0 107.953 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -25.76 10.13 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.549 1.14 . . . . 0.0 112.059 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 25' ' ' HIS . 5.2 tm-20 -67.87 -22.16 65.13 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 126.533 1.933 . . . . 0.0 110.302 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.24 28.87 10.14 Favored Glycine 0 CA--C 1.497 -1.068 0 N-CA-C 108.041 -2.024 . . . . 0.0 108.041 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' CG ' ' HD1' ' B' ' 85' ' ' HIS 0.397 34.7 t70 35.91 64.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -115.9 -30.78 5.97 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 166.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB2' ' HG3' ' A' ' 21' ' ' GLU . 38.0 m80 -131.24 36.82 3.78 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.084 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.597 ' HD2' ' O ' ' A' ' 68' ' ' CYS . 26.3 mtmt 40.83 -102.62 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 172.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 92.2 mt -154.3 168.99 24.75 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -95.82 158.74 15.31 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.281 178.767 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -62.16 -19.63 63.27 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 32.8 t -65.43 -22.51 66.77 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.03 -29.99 43.91 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 73' ' ' PHE . 3.4 tm? -58.52 -27.0 64.1 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.42 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 30' ' ' SER . 1.7 tmmm? -55.89 -49.18 74.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.74 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -69.6 -28.84 66.28 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.236 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.89 -59.55 5.2 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.846 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.4 pt -60.79 -30.39 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -54.1 -38.28 65.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -116.6 -38.44 3.49 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.581 0.705 . . . . 0.0 112.665 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.573 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 68.1 mm-40 -83.92 24.34 0.92 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 77' ' ' VAL . 1.2 tt -138.83 -53.8 0.59 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -176.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -60.18 118.52 6.46 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -145.05 -74.18 0.24 Allowed 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -146.55 83.88 1.61 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.697 0.76 . . . . 0.0 109.353 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -149.91 111.54 4.5 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.77 -18.53 1.63 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -143.34 17.6 1.88 Allowed 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 47' ' ' ILE . 1.9 mp -82.42 -100.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.916 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -115.4 -8.34 12.24 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 123.027 1.394 . . . . 0.0 109.003 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.5 pt-20 -52.84 -37.36 60.06 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.842 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -53.59 -39.24 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.811 0.444 . . . . 0.0 111.376 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.53 -55.01 4.73 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.835 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.98 -40.06 79.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.221 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -171.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' A' ' 57' ' ' MET . 71.3 t -52.99 -51.33 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.269 0.486 . . . . 0.0 110.435 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.27 -42.25 84.17 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.244 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.77 -36.58 84.35 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.271 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -62.9 -48.28 88.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 123.564 0.745 . . . . 0.0 109.718 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.8 mmt -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.38 -53.61 10.31 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.5 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 p -64.86 -44.5 89.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -57.57 -45.59 85.01 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.525 0.516 . . . . 0.0 111.214 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.51 -28.41 24.98 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.962 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.74 -44.39 93.66 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.21 -49.13 65.7 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.35 -82.21 0.46 Allowed Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.49 0.956 . . . . 0.0 115.49 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.59 150.37 34.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.39 96.65 0.38 Allowed Glycine 0 N--CA 1.398 -3.878 0 N-CA-C 106.426 -2.67 . . . . 0.0 106.426 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 27' ' ' LEU 0.287 0.0 OUTLIER -56.94 111.1 0.94 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.146 0.974 . . . . 0.0 112.461 179.857 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.597 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 24.5 p -61.32 121.28 12.21 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 114.003 -1.453 . . . . 0.0 113.692 -165.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.96 163.19 14.09 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.417 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -58.75 -26.87 64.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.67 0.747 . . . . 0.0 110.024 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.84 -36.77 85.01 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.237 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 48.9 mt-10 -77.91 -35.3 50.79 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.2 m-85 -54.96 -54.25 45.22 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.756 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.37 -46.08 91.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.011 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -54.68 -58.98 5.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 123.798 0.686 . . . . 0.0 112.257 -177.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 93.6 m-85 -63.97 -43.3 96.16 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG ' ' A' ' 40' ' ' LEU . 8.8 p -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.4 66.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.571 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 25.2 ptt? -76.03 -23.58 55.15 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.28 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.495 HG11 HD11 ' A' ' 40' ' ' LEU . 7.6 p -79.59 -28.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.41 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -78.2 -43.84 27.38 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.838 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.5 p -118.03 -63.75 1.38 Allowed 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.25 -0.281 . . . . 0.0 111.582 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 93.6 -74.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.769 2.028 . . . . 0.0 112.828 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.0 t -110.12 -74.28 0.66 Allowed 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.745 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -142.86 29.03 1.53 Allowed 'General case' 0 CA--C 1.488 -1.425 0 CA-C-O 122.277 1.037 . . . . 0.0 110.481 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 C--N 1.295 -1.799 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.998 179.116 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 N--CA 1.425 -1.7 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -168.106 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.457 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 16.4 m . . . . . 0 C--O 1.254 1.34 0 CA-C-O 120.928 0.394 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -89.89 -46.57 8.46 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 121.831 -0.543 . . . . 0.0 110.414 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.3 tm? -65.14 -30.56 71.49 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' B' ' 1' ' ' SER . 25.1 tt0 -52.83 -56.24 17.21 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.277 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -63.75 -25.74 68.33 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.726 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -66.08 -46.87 76.16 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -61.69 -41.85 98.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.489 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.97 -40.41 88.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.21 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -64.93 -37.94 89.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.023 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.756 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 3.9 mm? -59.45 -43.99 93.07 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.012 0.434 . . . . 0.0 111.606 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 pt -81.11 -33.26 12.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 C-N-CA 120.109 -0.637 . . . . 0.0 111.814 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 24.6 t70 -70.75 -30.97 67.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.503 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.13 -31.25 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.558 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -76.85 -25.21 52.9 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 8.4 t60 -67.96 -38.48 82.81 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.337 1.055 . . . . 0.0 109.603 173.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 33.7 mm-40 -56.75 -45.01 82.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.567 0.699 . . . . 0.0 109.793 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -88.03 -166.5 1.6 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t -143.93 139.52 29.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.595 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.76 75.58 1.66 Allowed Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 172.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.478 ' NH1' ' HA ' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -52.2 -26.21 11.07 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.988 1.315 . . . . 0.0 112.099 -174.634 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.87 -24.1 66.08 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 125.735 1.614 . . . . 0.0 109.58 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.9 31.43 7.73 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . 0.381 34.6 t70 33.58 67.24 0.2 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -173.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.42 -32.23 4.41 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 166.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -130.86 38.07 3.73 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.91 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.603 ' HD2' ' O ' ' B' ' 68' ' ' CYS . 23.8 mtmt 39.09 -101.42 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 172.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 94.0 mt -155.38 170.03 22.86 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -96.38 158.77 15.28 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 118.226 -1.39 . . . . 0.0 110.517 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.22 -20.95 64.73 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 47.5 t -65.25 -22.99 66.93 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.68 -27.05 37.18 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 109.516 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.47 -25.44 66.04 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.089 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.7 tmmm? -55.93 -49.71 72.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.748 173.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.29 -32.48 74.16 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.655 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -58.09 9.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.278 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.415 HG22 HD12 ' B' ' 40' ' ' LEU . 10.4 pt -63.06 -26.84 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.338 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -112.89 -54.97 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.025 0.44 . . . . 0.0 110.584 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 55.1 mm-40 -73.45 30.04 0.07 Allowed 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 125.462 1.505 . . . . 0.0 114.85 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.1 tt -143.64 -49.7 0.31 Allowed 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.8 m -68.46 120.39 14.45 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.504 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -146.49 -68.52 0.27 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -150.5 88.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.509 1.124 . . . . 0.0 108.873 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.01 110.77 2.39 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.53 -30.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.24 15.36 11.41 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -167.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.435 ' N ' HD12 ' B' ' 47' ' ' ILE 0.304 1.9 mp -85.66 -105.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.534 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.847 -176.508 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -114.14 -6.73 13.06 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 123.298 1.523 . . . . 0.0 108.682 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.424 ' O ' HG23 ' B' ' 53' ' ' VAL . 10.7 pt-20 -57.08 -35.64 69.62 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 112.398 -2.183 . . . . 0.0 112.909 -177.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -54.37 -37.16 64.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.368 0.604 . . . . 0.0 111.105 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.75 -54.82 4.83 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.09 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.08 -38.84 81.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -171.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' B' ' 57' ' ' MET . 72.8 t -53.06 -50.25 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 118.329 0.513 . . . . 0.0 110.209 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.64 -39.28 77.2 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.514 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -37.6 87.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.166 0.508 . . . . 0.0 109.723 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.83 -49.75 82.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.874 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.6 mmt -60.64 -32.8 71.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.52 -50.88 10.82 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.796 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.1 p -67.0 -43.15 83.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' B' ' 76' ' ' PHE . 37.9 tp -57.26 -46.55 82.96 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 123.521 0.513 . . . . 0.0 111.534 -177.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.15 -29.16 26.9 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.6 -45.14 91.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.86 -45.32 74.88 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 174.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 -82.58 0.19 Allowed Glycine 0 C--O 1.247 0.914 0 N-CA-C 115.449 0.939 . . . . 0.0 115.449 169.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.13 145.72 33.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.62 0.17 Allowed Glycine 0 N--CA 1.402 -3.612 0 N-CA-C 106.458 -2.657 . . . . 0.0 106.458 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' B' ' 27' ' ' LEU 0.295 0.0 OUTLIER -54.64 110.77 0.69 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.366 1.079 . . . . 0.0 112.762 -179.129 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.603 ' O ' ' HD2' ' B' ' 26' ' ' LYS . 22.2 p -62.91 123.98 19.9 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.791 -1.549 . . . . 0.0 114.545 -164.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -95.07 167.4 11.4 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.222 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -59.63 -27.95 66.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.435 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.85 -36.2 82.47 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.962 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.526 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 46.9 mt-10 -79.03 -35.99 41.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.565 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.58 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.2 m-85 -54.9 -54.02 47.93 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.757 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.29 -44.61 96.12 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.166 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -55.8 -59.3 5.07 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 123.554 0.534 . . . . 0.0 112.247 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 91.7 m-85 -62.46 -44.86 95.38 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG ' ' B' ' 40' ' ' LEU . 9.1 p -69.15 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.89 -38.4 61.89 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 24.9 ptt? -75.99 -23.94 55.3 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.043 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.475 HG11 HD11 ' B' ' 40' ' ' LEU . 7.8 p -79.02 -27.49 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.252 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -81.83 -39.82 23.42 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.22 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.9 p -123.44 -58.89 1.59 Allowed 'General case' 0 C--O 1.213 -0.84 0 O-C-N 122.089 -0.382 . . . . 0.0 112.018 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 85.42 -71.49 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.627 1.571 . . . . 0.0 113.375 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.9 t -110.56 -73.14 0.69 Allowed 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.652 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.414 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 66.5 m-70 -144.39 29.55 1.28 Allowed 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.088 0.947 . . . . 0.0 111.066 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.294 -1.823 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.037 179.532 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -73.07 -53.9 9.9 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.184 0.594 . . . . 0.0 110.567 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -38.99 92.59 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.926 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 37.5 tt0 -50.76 -57.94 7.15 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.969 1.308 . . . . 0.0 110.746 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 36.3 ttpt -53.64 -45.34 70.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.798 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -63.83 -49.41 72.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.712 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.74 -46.25 91.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.306 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.57 -43.76 98.37 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -62.39 -35.75 80.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 13' ' ' VAL . 98.2 mt -65.88 -49.89 66.46 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.198 0.523 . . . . 0.0 111.288 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 pt -73.36 -35.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.539 ' HA ' ' HB3' ' A' ' 15' ' ' HIS . 31.9 t70 -74.11 -22.69 59.38 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 10' ' ' LEU . 7.3 p -67.18 -44.58 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.547 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.638 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -90.99 20.18 5.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.473 1.13 . . . . 0.0 111.955 175.332 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 12' ' ' ASP . 15.8 t-80 -95.07 -40.15 9.78 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -76.11 -47.11 25.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.579 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' HD1' ' A' ' 14' ' ' PHE . 75.0 m-85 -93.15 130.29 38.85 Favored 'General case' 0 C--O 1.198 -1.646 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 t -157.6 177.5 11.33 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -92.47 -160.5 35.9 Favored Glycine 0 N--CA 1.43 -1.759 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.161 -178.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -35.42 4.19 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.435 -0.383 . . . . 0.0 111.675 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -134.07 -75.43 0.47 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.475 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.27 -36.1 35.79 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.572 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -87.98 1.6 53.76 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.414 0.626 . . . . 0.0 110.734 -175.806 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -92.27 -28.86 16.72 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -77.72 -60.05 2.53 Favored 'General case' 0 C--O 1.207 -1.16 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 52.8 mtpt -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 171.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HG ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mm? -65.4 -25.86 67.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -162.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 70.74 146.08 0.07 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.594 1.158 . . . . 0.0 111.127 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.82 -33.77 73.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.01 0.434 . . . . 0.0 111.863 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -61.49 -34.31 75.26 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.164 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.71 -26.7 25.75 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.315 0.579 . . . . 0.0 110.389 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.3 tm? -64.0 -22.21 66.83 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -55.95 -58.28 8.56 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.373 1.069 . . . . 0.0 109.74 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -53.51 -40.04 65.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.421 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.09 -54.27 43.69 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.859 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.3 pt -68.57 -34.47 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.48 -48.3 70.31 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.834 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -107.18 -33.46 7.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -103.02 -7.48 21.37 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -170.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 5.4 tt -65.56 -64.07 0.95 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t 178.59 152.28 0.32 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -105.97 -17.15 14.43 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.494 -0.883 . . . . 0.0 110.949 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -101.95 99.64 9.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.059 0.933 . . . . 0.0 110.868 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.3 mm? -108.49 107.13 17.53 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -121.16 -72.63 0.68 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.822 0.82 . . . . 0.0 112.283 -173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.72 17.52 4.68 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.435 -172.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.454 ' HB ' ' OE2' ' A' ' 49' ' ' GLU . 2.6 pt -123.94 -169.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.427 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -101.55 -77.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.678 ' OE2' ' HA ' ' A' ' 81' ' ' THR . 8.1 mp0 56.32 -55.26 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 127.264 2.226 . . . . 0.0 116.706 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -50.15 -37.57 35.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -169.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -76.66 -49.69 15.53 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.807 0.813 . . . . 0.0 109.849 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.413 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 23.2 t -72.27 -40.58 65.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.709 -171.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 57' ' ' MET . 57.2 t -55.28 -42.19 65.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 123.145 0.578 . . . . 0.0 111.216 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.92 -43.45 88.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.35 -36.97 85.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.717 0.77 . . . . 0.0 109.747 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 4.2 t -63.03 -46.59 95.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.533 0 C-N-CA 124.535 1.134 . . . . 0.0 110.922 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 0.0 110.768 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.15 -60.35 2.69 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 p -61.93 -40.21 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.4 tp -52.09 -46.78 65.36 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.552 0.741 . . . . 0.0 110.556 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -42.26 20.78 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.826 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -61.55 -36.29 80.17 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.944 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.82 -46.18 89.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.841 0.353 . . . . 0.0 110.162 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.33 -99.24 1.09 Allowed Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.035 -1.078 . . . . 0.0 114.225 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.5 -71.61 0.42 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.17 0.51 . . . . 0.0 109.809 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.91 62.77 5.93 Favored Glycine 0 N--CA 1.415 -2.74 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.46 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -53.62 99.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.929 0.871 . . . . 0.0 111.442 173.647 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.684 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 48.3 t -62.71 129.08 38.91 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.35 -165.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -109.12 167.06 10.38 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.614 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 73' ' ' PHE . 22.4 p90 -54.55 -29.44 50.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.218 1.007 . . . . 0.0 111.73 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.26 -39.4 94.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.856 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.684 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 44.1 mt-10 -72.43 -33.01 66.78 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 70' ' ' PHE . 24.1 m-85 -53.91 -56.45 17.67 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.462 ' SD ' ' HB2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.45 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.52 -56.73 18.39 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.465 -177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -63.81 -45.28 90.32 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 73' ' ' PHE . 9.6 p -68.92 -43.21 82.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.12 67.97 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.816 -0.552 . . . . 0.0 111.98 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 26.0 ptt? -82.62 -24.02 34.03 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.305 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 33.9 m -77.85 -43.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.774 176.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.678 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 85.5 m -79.79 -44.47 20.57 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.545 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -109.23 -82.55 0.56 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.139 -0.624 . . . . 0.0 112.285 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.46 -168.04 0.06 Allowed 'General case' 0 C--O 1.258 1.547 0 C-N-CA 123.918 0.887 . . . . 0.0 112.483 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.3 m 66.17 -63.85 0.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.983 1.713 . . . . 0.0 114.87 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -132.98 -1.41 3.31 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 122.069 -0.394 . . . . 0.0 110.87 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 124.835 1.254 . . . . 0.0 113.479 -178.79 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 N--CA 1.426 -1.662 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 -168.53 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 19.1 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 120.562 0.22 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -73.84 -52.45 12.99 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.505 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.49 -41.29 98.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.016 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 37.7 tt0 -48.22 -57.9 5.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.423 1.489 . . . . 0.0 110.735 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -53.68 -45.75 70.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.908 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.64 -47.98 76.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.498 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.19 -45.85 92.9 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.619 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.55 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.05 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -60.46 -36.85 79.24 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' HG12 ' B' ' 13' ' ' VAL . 98.6 mt -65.31 -49.7 68.47 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.071 0.462 . . . . 0.0 111.311 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 pt -73.25 -34.06 43.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 33.6 t70 -70.66 -29.23 65.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.517 HG12 ' O ' ' B' ' 10' ' ' LEU . 7.3 p -66.42 -44.72 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.191 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.647 ' CG ' ' HG ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -90.85 18.56 6.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.435 1.112 . . . . 0.0 112.109 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 20.8 t60 -93.61 -39.96 10.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 168.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.83 -44.68 20.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.151 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.491 ' O ' ' HD1' ' B' ' 14' ' ' PHE . 81.6 m-85 -91.72 126.59 36.85 Favored 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 t -159.4 164.52 34.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' B' ' 23' ' ' ASP . . . -84.1 -167.05 41.76 Favored Glycine 0 CA--C 1.487 -1.683 0 CA-C-O 121.719 0.621 . . . . 0.0 113.712 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.448 ' H ' ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -111.22 -34.82 6.05 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.82 -0.69 . . . . 0.0 111.271 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.81 -80.39 0.44 Allowed 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.74 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.77 59.69 Favored Glycine 0 CA--C 1.493 -1.312 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.53 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.525 ' CG ' ' HA3' ' B' ' 19' ' ' GLY . 17.3 p-10 -91.76 1.29 57.26 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.052 0.941 . . . . 0.0 109.414 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -91.65 -35.7 14.06 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -71.81 -55.53 7.41 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 54.2 mtpt -136.1 139.14 42.75 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.647 ' HG ' ' CG ' ' B' ' 14' ' ' PHE . 2.7 mm? -66.12 -26.07 67.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -163.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' B' ' 67' ' ' GLU . 71.2 mmtt 71.93 148.91 0.09 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.634 1.174 . . . . 0.0 111.291 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -62.98 -34.71 78.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -64.64 -29.85 70.86 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.014 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 35.1 mm-40 -86.14 -26.82 24.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.703 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.503 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -64.37 -22.78 67.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.32 -59.67 4.47 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 124.442 1.097 . . . . 0.0 109.404 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -54.66 -34.02 61.6 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.353 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -66.74 -55.64 14.09 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.253 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.0 pt -68.41 -33.58 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -66.9 -37.34 84.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.647 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.73 -37.84 3.07 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -97.22 -6.01 35.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 5.3 tt -67.11 -64.7 0.8 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t 177.16 152.97 0.22 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -104.44 -19.2 14.12 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.953 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -98.53 100.43 11.68 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 122.038 0.923 . . . . 0.0 110.936 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.442 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.2 mm? -109.32 105.08 14.32 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.06 -65.9 1.13 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -173.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.866 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.536 ' HB ' ' OE2' ' B' ' 49' ' ' GLU . 2.1 pt -117.23 -172.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -98.55 -78.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.664 ' OE2' ' HA ' ' B' ' 81' ' ' THR . 7.5 mp0 55.83 -53.88 0.02 OUTLIER 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 127.278 2.231 . . . . 0.0 116.348 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -47.82 -37.54 13.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.908 1.283 . . . . 0.0 113.755 -171.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.24 -49.68 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.563 0.697 . . . . 0.0 110.762 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.422 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 24.3 t -72.52 -40.61 63.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.487 -171.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' B' ' 57' ' ' MET . 78.2 t -55.73 -39.62 56.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 122.913 0.485 . . . . 0.0 111.055 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.91 -42.45 85.4 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.937 0.399 . . . . 0.0 110.705 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.6 -35.41 78.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.686 0.755 . . . . 0.0 109.563 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 4.0 t -63.86 -45.7 96.32 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 C-N-CA 124.616 1.166 . . . . 0.0 110.754 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.22 -36.05 82.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.945 0.402 . . . . 0.0 110.272 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.54 -58.46 7.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.4 p -63.24 -41.99 99.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.1 tp -52.58 -45.78 66.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.636 0.774 . . . . 0.0 110.4 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -80.25 -42.54 22.99 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.095 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.23 -38.99 93.34 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.721 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.73 -45.76 92.55 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.573 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.4 -114.69 4.35 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.273 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.71 -69.0 0.21 Allowed 'General case' 0 C--O 1.248 0.982 0 C-N-CA 123.349 0.659 . . . . 0.0 110.204 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.13 57.13 17.94 Favored Glycine 0 N--CA 1.422 -2.252 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.537 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 5.9 pt-20 -46.61 100.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.506 0.669 . . . . 0.0 110.825 174.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.642 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 45.3 t -66.0 127.43 32.05 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.334 -1.303 . . . . 0.0 113.881 -167.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -109.48 167.83 9.84 Favored 'General case' 0 CA--C 1.487 -1.468 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.312 173.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' B' ' 73' ' ' PHE . 25.5 p90 -53.35 -30.26 38.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.47 1.108 . . . . 0.0 112.335 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.39 -39.58 92.41 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.739 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.642 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 42.7 mt-10 -70.32 -33.42 71.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.092 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' B' ' 70' ' ' PHE . 25.4 m-85 -54.05 -56.74 15.14 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.45 ' SD ' ' HB2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.34 -44.07 97.8 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.453 -178.788 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.65 -57.29 13.64 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.355 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -62.46 -45.79 91.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.7 p -68.68 -43.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.93 67.41 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.831 -0.543 . . . . 0.0 112.014 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 26.5 ptt? -81.9 -26.32 34.22 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.334 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.422 ' HA ' ' HB ' ' B' ' 52' ' ' VAL . 33.9 m -76.25 -44.82 36.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 118.602 -1.239 . . . . 0.0 110.536 176.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.664 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . 90.2 m -78.31 -43.95 26.58 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.594 -176.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.6 m -110.69 -82.62 0.57 Allowed 'General case' 0 N--CA 1.436 -1.17 0 O-C-N 121.619 -0.676 . . . . 0.0 112.538 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.37 -168.0 0.06 Allowed 'General case' 0 C--O 1.256 1.442 0 C-N-CA 123.822 0.849 . . . . 0.0 112.527 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m 67.08 -70.38 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.263 1.425 . . . . 0.0 114.1 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -127.61 0.07 6.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.394 -0.191 . . . . 0.0 111.258 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.257 1.488 0 C-N-CA 124.691 1.197 . . . . 0.0 113.708 -179.18 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.82 0.343 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.69 -38.26 88.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.1 tm? -76.05 -38.55 57.02 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.241 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 50.0 tt0 -60.57 -36.87 79.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.757 0.789 . . . . 0.0 109.786 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.12 -53.01 51.9 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.668 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.01 92.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.678 -1.147 . . . . 0.0 113.056 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.418 ' HG3' HG22 ' B' ' 77' ' ' VAL . 14.9 tmm? -56.6 -45.73 81.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.2 -34.71 70.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.344 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.04 -52.71 58.15 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.416 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.555 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 4.5 mm? -51.66 -49.49 62.23 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.164 0.507 . . . . 0.0 111.701 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 pt -74.55 -48.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 13.9 t70 -72.71 -30.15 63.97 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.74 -41.51 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.49 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.77 -12.64 58.47 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.968 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.7 t60 -69.22 -42.01 76.27 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 169.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 74.3 mt-30 -70.43 -3.19 16.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.504 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CZ ' ' HA3' ' A' ' 19' ' ' GLY . 23.8 t80 -54.17 -58.42 7.43 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.489 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 p 40.61 77.52 0.05 Allowed 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.274 1.03 . . . . 0.0 113.077 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 17' ' ' TYR . . . -113.99 138.23 14.72 Favored Glycine 0 N--CA 1.424 -2.138 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.022 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -60.98 -23.22 65.2 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 123.24 0.616 . . . . 0.0 112.338 -179.14 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.94 -63.85 1.09 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.598 174.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.37 29.4 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.869 -0.605 . . . . 0.0 113.51 -174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.85 -16.05 63.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 122.007 -0.702 . . . . 0.0 111.737 -174.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -98.43 -1.11 42.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.777 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -126.74 -81.38 0.61 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.648 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HD3' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -151.04 149.33 29.42 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 100.811 -3.774 . . . . 0.0 100.811 176.329 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.47 -36.24 63.91 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 74.5 mmtt 64.04 116.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.984 1.314 . . . . 0.0 112.992 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 67' ' ' GLU 0.295 0.0 OUTLIER -68.14 -18.93 64.76 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.683 -0.636 . . . . 0.0 111.619 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.9 m -62.62 -23.53 67.11 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.215 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -85.47 -22.62 28.16 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.745 0.783 . . . . 0.0 109.815 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 3.3 tm? -63.24 -21.2 66.08 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.57 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -53.45 -52.04 60.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.855 0.836 . . . . 0.0 110.988 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.43 -22.85 65.5 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.285 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.27 -51.15 22.16 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 12.4 pt -65.25 -33.24 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.8 -30.27 71.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.368 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -99.67 -62.42 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 24.4 mm-40 -80.52 -32.92 36.73 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -172.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.758 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -74.3 -61.28 1.91 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 -173.014 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 p -90.16 92.4 8.94 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -165.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.48 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 31.7 m80 -126.44 -71.46 0.69 Allowed 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.36 -11.63 27.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.7 mm? -81.33 110.73 17.05 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -114.95 -73.69 0.64 Allowed 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -135.49 73.31 1.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -107.14 -49.84 8.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -150.77 -32.06 0.17 Allowed 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.08 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' OE1' ' HB3' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -58.07 -29.83 65.72 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.518 ' OE1' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -59.76 -27.02 66.15 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HG3' ' OE1' ' A' ' 50' ' ' GLN . 43.0 mt-10 -81.41 -59.01 2.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.641 1.21 . . . . 0.0 109.49 170.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 3.3 t -72.02 -25.36 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.852 -165.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 56' ' ' VAL . 55.3 t -57.59 -42.85 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 119.122 0.873 . . . . 0.0 111.743 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.66 -40.97 92.99 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.805 0.812 . . . . 0.0 109.81 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -71.42 -30.73 66.42 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.699 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.1 p -70.76 -34.59 57.04 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.0 mmt -66.58 -29.63 69.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.244 0.545 . . . . 0.0 109.965 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.7 -61.51 1.85 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.874 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 p -58.15 -40.88 82.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 15.8 tp -54.87 -48.34 73.09 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.073 0.949 . . . . 0.0 110.461 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.7 -33.08 21.61 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.638 -176.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.42 -42.05 92.93 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.8 -39.8 95.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.06 -103.91 0.94 Allowed Glycine 0 C--O 1.242 0.625 0 CA-C-N 114.79 -1.095 . . . . 0.0 115.081 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -86.19 106.38 17.25 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-O 121.083 0.468 . . . . 0.0 110.447 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.29 27.78 0.13 Allowed Glycine 0 C--N 1.297 -1.638 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.603 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 2.3 mp0 56.72 -179.2 0.05 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.288 1.035 . . . . 0.0 113.276 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 43.7 t -134.09 101.95 5.22 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.152 170.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 167.53 9.87 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.669 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' B' ' 84' ' ' CYS . 4.4 p90 -57.71 -26.55 61.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.754 0.822 . . . . 0.0 111.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.84 -40.8 95.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -78.79 -32.57 46.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.477 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -52.84 -54.28 36.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.556 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.655 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.6 OUTLIER -62.15 -47.03 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.495 0.497 . . . . 0.0 111.154 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.58 29.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -62.65 -47.19 84.81 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.758 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.5 p -68.41 -41.06 83.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.024 0.44 . . . . 0.0 112.169 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.75 47.85 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.974 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -78.33 -23.09 47.19 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 118.292 -1.363 . . . . 0.0 111.771 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 40' ' ' LEU . 27.0 m -75.31 -51.62 20.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.149 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.477 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.5 m -83.73 -39.48 20.05 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.596 HG22 ' SG ' ' A' ' 84' ' ' CYS . 11.9 m -98.71 -49.79 4.47 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.638 -0.664 . . . . 0.0 111.414 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.07 86.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.022 1.329 . . . . 0.0 113.369 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.596 ' SG ' HG22 ' A' ' 82' ' ' THR . 58.7 m -144.43 154.33 42.84 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -112.0 0.24 15.94 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 167.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.607 ' OE1' ' HE3' ' B' ' 26' ' ' LYS . 31.0 tt0 . . . . . 0 CA--C 1.502 -0.904 0 C-N-CA 128.258 2.623 . . . . 0.0 107.491 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.436 ' HB3' HG23 ' A' ' 82' ' ' THR . 35.8 t-80 . . . . . 0 N--CA 1.436 -1.163 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 N--CA 1.434 -1.265 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 -170.276 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.418 ' H2 ' ' CD ' ' A' ' 39' ' ' GLU . 19.5 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -39.01 66.65 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.1 tm? -74.45 -39.66 62.41 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.031 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.48 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 46.7 tt0 -57.69 -42.73 84.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.412 0.625 . . . . 0.0 109.396 177.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.15 -50.06 74.71 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.037 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.42 94.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.42 ' HG3' HG22 ' A' ' 77' ' ' VAL . 14.8 tmm? -57.54 -45.57 84.9 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.132 0.491 . . . . 0.0 110.01 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -36.22 75.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.047 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -52.9 61.25 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.477 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.655 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 4.5 mm? -51.91 -50.34 61.26 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.002 0.43 . . . . 0.0 111.812 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.404 HD12 ' CE1' ' A' ' 90' ' ' HIS . 36.4 pt -73.97 -46.48 45.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 26.9 t70 -71.95 -31.74 66.61 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.98 -41.12 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.647 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -15.51 55.09 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 117.429 -1.709 . . . . 0.0 110.84 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 10.5 t60 -66.54 -40.18 88.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 75.9 mt-30 -72.23 -7.16 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.228 176.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' B' ' 19' ' ' GLY . 23.7 t80 -51.12 -60.89 2.62 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 117.858 0.299 . . . . 0.0 110.502 175.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.5 p 45.71 72.45 0.22 Allowed 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.99 0.916 . . . . 0.0 112.643 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' B' ' 17' ' ' TYR . . . -105.69 141.09 15.33 Favored Glycine 0 N--CA 1.421 -2.346 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.929 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -63.55 -24.09 67.66 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.705 0.297 . . . . 0.0 111.572 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -96.01 -65.48 0.97 Allowed 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.448 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.63 -54.49 36.67 Favored Glycine 0 C--O 1.21 -1.355 0 O-C-N 123.539 0.524 . . . . 0.0 113.893 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' B' ' 19' ' ' GLY . 15.7 t70 -64.13 -22.26 66.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 122.102 -0.646 . . . . 0.0 111.578 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -96.15 2.02 52.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.83 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -129.55 -83.69 0.56 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.429 0.633 . . . . 0.0 110.462 177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.607 ' HE3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -150.01 147.84 28.33 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 177.702 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.408 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 4.5 mm? -53.18 -36.33 60.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -173.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 74.1 mmtt 61.65 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.937 1.295 . . . . 0.0 112.897 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HD2' ' O ' ' B' ' 67' ' ' GLU 0.291 0.0 OUTLIER -64.29 -19.27 65.3 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.665 -0.647 . . . . 0.0 112.48 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -62.69 -23.74 67.29 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 121.979 -0.451 . . . . 0.0 110.311 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.27 -22.19 28.7 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.591 0.71 . . . . 0.0 109.681 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.3 tm? -62.04 -20.89 64.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.111 0.964 . . . . 0.0 108.746 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -53.22 -51.84 60.84 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.132 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.29 -26.24 67.98 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.034 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.72 -52.58 24.22 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.46 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 13.1 pt -65.21 -34.05 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -56.58 -36.53 69.47 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.054 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -95.85 -70.38 0.72 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 32.0 mm-40 -71.02 -37.18 72.62 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -170.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.732 ' HG ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.1 -60.91 1.97 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.703 0.763 . . . . 0.0 110.989 -171.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -92.45 91.82 7.8 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.424 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 35.8 m80 -124.96 -69.15 0.81 Allowed 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -95.93 -12.42 25.11 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.7 mm? -81.31 112.71 18.86 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 171.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.54 -73.28 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -171.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -135.57 80.68 1.85 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.9 mt -114.36 -52.8 4.98 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -149.66 -30.03 0.24 Allowed 'General case' 0 C--O 1.245 0.821 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.019 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HB2' HG23 ' B' ' 53' ' ' VAL . 0.8 OUTLIER -60.07 -29.77 68.78 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.061 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . 0.252 0.0 OUTLIER -61.4 -27.0 68.22 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.914 -0.714 . . . . 0.0 112.438 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.77 -55.93 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.289 1.042 . . . . 0.0 109.64 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 3.3 t -73.59 -25.12 20.55 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -166.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.64 ' O ' HG12 ' B' ' 56' ' ' VAL . 54.7 t -57.51 -42.7 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 119.057 0.844 . . . . 0.0 112.088 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.8 -35.44 78.65 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -74.34 -30.46 62.04 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.549 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 53' ' ' VAL . 2.6 p -69.43 -34.57 62.82 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.866 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -67.83 -29.9 69.17 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.256 0.55 . . . . 0.0 109.945 178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.94 -61.32 1.85 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.184 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -58.39 -41.33 84.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 15.3 tp -55.19 -42.77 73.67 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 124.213 1.005 . . . . 0.0 110.708 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -89.0 -36.38 15.86 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.731 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.58 -40.88 96.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.249 0.62 . . . . 0.0 110.713 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.1 -43.53 91.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 -106.68 1.9 Allowed Glycine 0 CA--C 1.505 -0.547 0 CA-C-N 114.936 -1.029 . . . . 0.0 114.785 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.91 105.14 17.24 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.437 0.637 . . . . 0.0 110.508 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.59 29.04 0.2 Allowed Glycine 0 C--N 1.296 -1.669 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.619 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 2.1 mp0 56.81 177.78 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.723 1.209 . . . . 0.0 113.62 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.573 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 47.3 t -132.28 101.6 5.43 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.038 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -109.44 168.0 9.72 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -57.29 -26.78 61.4 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.693 0.797 . . . . 0.0 112.147 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -64.83 -40.66 95.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.75 -32.95 46.87 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.443 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.648 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.7 -54.68 30.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.455 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.555 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.26 -47.43 86.07 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.556 0.535 . . . . 0.0 111.289 176.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.25 -54.43 43.55 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -63.76 -47.34 81.39 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.732 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.6 p -68.15 -41.06 83.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.15 47.99 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.076 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -77.64 -23.41 49.74 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 117.875 -1.53 . . . . 0.0 111.583 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.458 HG21 HD11 ' B' ' 40' ' ' LEU . 32.3 m -75.45 -51.58 20.62 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.488 0 C-N-CA 118.641 -1.224 . . . . 0.0 111.638 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.25 -37.59 21.56 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.613 HG22 ' SG ' ' B' ' 84' ' ' CYS . 10.8 m -99.33 -50.99 3.93 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.653 -0.654 . . . . 0.0 111.356 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.65 88.78 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.904 1.282 . . . . 0.0 113.342 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.613 ' SG ' HG22 ' B' ' 82' ' ' THR . 57.2 m -148.3 152.54 37.27 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.129 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -110.46 -1.84 16.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 166.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.556 ' OE1' ' HE3' ' A' ' 26' ' ' LYS . 30.3 tt0 . . . . . 0 CA--C 1.509 -0.621 0 C-N-CA 128.284 2.634 . . . . 0.0 107.551 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.425 ' HB3' ' OE2' ' B' ' 39' ' ' GLU . 4.7 m . . . . . 0 N--CA 1.438 -1.06 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 2.5 tp10 -68.66 -37.25 79.49 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.158 0.504 . . . . 0.0 110.13 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 3' ' ' LEU . 2.3 tm? -73.51 -34.62 65.36 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.128 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 8' ' ' VAL . 54.4 mt-10 -56.32 -40.27 74.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.888 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 46.1 pttt -71.61 -25.16 62.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.944 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.75 85.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.476 ' HE1' HG21 ' B' ' 81' ' ' THR . 10.6 tmm? -65.18 -40.2 93.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.649 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' GLU . 95.8 t -60.36 -43.87 94.74 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.672 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.058 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.81 77.58 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.971 0.508 . . . . 0.0 111.642 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.523 HD13 ' SD ' ' B' ' 74' ' ' MET . 34.3 mt -60.22 -42.74 95.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.411 0.684 . . . . 0.0 111.212 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.4 pt -82.37 -24.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 120.625 -1.297 . . . . 0.0 112.074 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.563 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 11.2 t70 -79.67 -50.88 9.97 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.58 -35.77 65.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.856 0.36 . . . . 0.0 110.089 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -62.62 -46.53 87.83 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.551 175.137 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 12' ' ' ASP . 2.0 p-80 -65.02 -27.41 68.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 119.621 -0.832 . . . . 0.0 113.065 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.2 mt-30 -65.91 -43.33 88.46 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.032 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.65 -26.22 15.28 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -72.52 151.5 42.43 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -72.7 93.12 0.63 Allowed Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -54.33 -35.5 62.76 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 37.5 tt0 -95.2 -75.95 0.51 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -35.32 74.78 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.563 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' HA3' ' A' ' 19' ' ' GLY . 5.5 m-20 -91.74 14.17 16.08 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.976 0.417 . . . . 0.0 112.064 -173.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 60.99 27.29 17.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.573 0.749 . . . . 0.0 112.666 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 72.67 14.19 5.12 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.568 0.747 . . . . 0.0 111.193 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.83 154.73 24.68 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 120.895 -1.128 . . . . 0.0 111.037 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -71.64 -39.12 70.58 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -166.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HE3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 72.6 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.365 1.066 . . . . 0.0 109.705 -169.61 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.1 mtpt -68.94 -30.39 68.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.935 -174.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -63.84 -32.36 73.85 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.029 0.443 . . . . 0.0 110.085 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.43 -18.62 33.09 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.46 -24.54 67.5 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.831 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB2' HD23 ' A' ' 60' ' ' LEU . 4.6 tmmm? -55.68 -54.32 45.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.939 175.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 -33.14 75.32 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.048 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HG ' HD13 ' A' ' 40' ' ' LEU . 33.9 tp -69.99 -42.67 72.78 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.322 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 10.1 pt -65.05 -42.32 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.19 -22.82 66.21 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.066 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -99.39 -68.72 0.79 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -101.37 -21.13 14.91 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -165.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.2 mp -99.87 -22.78 15.17 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.336 -175.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.7 m -143.49 89.85 2.11 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.397 0.617 . . . . 0.0 110.48 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -115.0 -39.4 3.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.404 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -90.17 -3.52 57.82 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.06 92.37 5.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.747 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.05 -18.95 15.37 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.063 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 11.6 pt-20 -147.88 -153.02 0.47 Allowed 'General case' 0 N--CA 1.416 -2.151 0 C-N-CA 124.074 0.949 . . . . 0.0 108.914 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.438 HG22 ' HG2' ' A' ' 48' ' ' LYS . 67.3 mt 92.36 -87.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.45 1.5 . . . . 0.0 111.603 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 82' ' ' THR . 29.8 mmmt -137.5 6.35 2.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.471 0.653 . . . . 0.0 111.674 -176.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -62.18 -47.67 83.46 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -173.288 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -59.46 -32.13 69.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.306 0.503 . . . . 0.0 111.963 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.62 -56.26 4.12 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.657 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.02 -45.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 57' ' ' MET . 79.3 t -57.25 -40.5 74.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 C-N-CA 122.46 0.304 . . . . 0.0 111.593 -176.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.92 -41.31 87.29 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.017 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.41 -34.59 78.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.796 0.808 . . . . 0.0 110.03 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.02 -46.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 124.348 1.059 . . . . 0.0 110.368 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.8 mmt -67.03 -27.56 67.51 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.557 0.694 . . . . 0.0 110.374 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.25 -59.4 3.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.944 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 14.0 p -64.01 -40.75 97.03 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 6.8 mp -56.6 -29.92 62.66 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -101.08 -46.32 5.11 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.255 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.35 -51.82 22.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.153 -176.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' A' ' 59' ' ' THR . 15.5 t70 -73.12 -64.19 1.02 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.43 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.08 -49.57 2.57 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 113.022 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 69.1 -50.66 0.6 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.614 2.366 . . . . 0.0 112.564 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.98 -24.99 5.61 Favored Glycine 0 C--N 1.299 -1.501 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.68 -178.62 6.55 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.574 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 12.1 t -143.45 135.11 26.39 Favored 'General case' 0 CA--C 1.481 -1.709 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 173.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -108.7 167.74 9.84 Favored 'General case' 0 C--N 1.282 -2.357 0 O-C-N 124.001 0.813 . . . . 0.0 109.517 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.433 ' CE1' ' HB1' ' B' ' 78' ' ' ALA . 12.9 p90 -64.87 -24.03 67.41 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.147 0.499 . . . . 0.0 110.243 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.05 -38.75 92.19 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.685 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 52.4 mt-10 -79.28 -31.79 43.43 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -53.7 -46.66 70.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 175.597 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.497 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.79 -53.94 33.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.457 174.675 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -50.79 -51.68 48.35 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 123.923 0.764 . . . . 0.0 112.972 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.485 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 71.0 m-85 -66.93 -44.86 79.58 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.459 ' HB ' HD23 ' A' ' 40' ' ' LEU . 10.9 p -70.06 -33.15 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.015 0.436 . . . . 0.0 111.102 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' B' ' 70' ' ' PHE . . . -75.22 -32.0 61.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.458 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 83' ' ' ALA 0.256 25.6 ptt? -84.79 -30.0 24.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.345 -1.342 . . . . 0.0 113.23 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.5 m -71.06 -39.22 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.421 HG21 ' HE1' ' B' ' 7' ' ' MET . 13.6 m -85.24 -25.13 27.48 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.069 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 61.9 m -136.78 -101.17 0.2 Allowed 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 121.705 -0.622 . . . . 0.0 112.462 -177.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 79' ' ' MET . . . 51.61 176.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.93 0.892 . . . . 0.0 112.675 -174.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.6 m 64.84 -50.9 0.33 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.811 1.645 . . . . 0.0 115.101 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -129.64 72.93 1.49 Allowed 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.597 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 N--CA 1.422 -1.825 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OXT' ' HB3' ' B' ' 15' ' ' HIS . 10.5 pt-20 . . . . . 0 C--O 1.259 1.582 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.243 0.718 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.3 tp10 -74.61 -35.39 62.94 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.318 0.58 . . . . 0.0 109.929 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.441 HD13 ' O ' ' B' ' 3' ' ' LEU . 2.4 tm? -75.36 -33.95 61.12 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.481 ' O ' HG23 ' B' ' 8' ' ' VAL . 52.7 mt-10 -56.64 -40.26 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 46.7 pttt -71.7 -25.72 62.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.757 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.89 87.73 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.421 ' HE1' HG21 ' A' ' 81' ' ' THR . 10.2 tmm? -65.18 -39.92 93.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.596 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 4' ' ' GLU . 95.8 t -61.23 -42.73 94.56 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.736 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.084 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.67 82.04 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.842 0.457 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.497 HD13 ' SD ' ' A' ' 74' ' ' MET . 35.1 mt -60.57 -43.41 97.34 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.489 0.716 . . . . 0.0 110.865 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 pt -81.15 -24.43 10.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 O-C-N 120.608 -1.308 . . . . 0.0 111.877 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 25.6 t70 -77.27 -52.28 9.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.87 -35.68 66.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-O 120.959 0.409 . . . . 0.0 110.276 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -62.56 -48.52 79.13 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.813 175.059 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.639 ' CE1' ' HA ' ' B' ' 12' ' ' ASP . 2.2 p-80 -63.6 -29.0 70.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.983 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 78.2 mt-30 -62.34 -51.05 69.15 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.662 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -89.9 -30.3 17.96 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.985 -169.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 46.5 m -67.58 151.06 47.96 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.2 92.22 0.48 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -57.03 -33.06 66.82 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.244 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' B' ' 20' ' ' ARG . 43.9 tt0 -95.14 -77.56 0.47 Allowed 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.22 76.85 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 121.191 -0.528 . . . . 0.0 114.397 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.78 15.84 9.05 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 59.44 27.41 16.54 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.4 ' HE2' ' HB3' ' B' ' 15' ' ' HIS . 3.5 t60 73.1 10.97 5.19 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.869 0.868 . . . . 0.0 111.499 173.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -109.2 156.18 20.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.018 -1.051 . . . . 0.0 111.433 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -72.62 -40.28 66.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -167.511 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HE3' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER 72.92 131.65 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.608 1.163 . . . . 0.0 109.876 -169.684 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.605 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 49.2 mtpt -65.56 -28.88 69.47 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.193 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.9 t -66.41 -34.33 77.71 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 121.318 0.58 . . . . 0.0 110.695 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.13 -18.7 41.95 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.606 -0.684 . . . . 0.0 110.579 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.4 tm? -63.77 -24.96 67.97 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.219 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.467 ' HB2' HD23 ' B' ' 60' ' ' LEU . 3.9 tmmm? -56.25 -52.71 63.46 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.964 0.887 . . . . 0.0 111.379 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.84 -34.42 77.77 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.317 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' B' ' 40' ' ' LEU . 32.4 tp -67.78 -42.1 82.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.447 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 10.3 pt -66.22 -43.01 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -63.25 -21.38 66.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.39 0.614 . . . . 0.0 111.877 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -99.73 -69.36 0.77 Allowed 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.425 ' OE2' ' HB3' ' A' ' 1' ' ' SER . 16.8 tp10 -101.15 -24.14 14.33 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -166.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.3 mp -97.67 -21.72 16.86 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.416 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.7 m -144.47 90.42 2.09 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.455 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -113.97 -40.45 3.73 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -88.65 -4.5 58.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.057 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.6 92.17 5.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.772 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.47 -11.78 16.87 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.228 0.537 . . . . 0.0 110.324 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 12.6 pt-20 -150.61 -153.52 0.49 Allowed 'General case' 0 N--CA 1.42 -1.963 0 C-N-CA 124.407 1.083 . . . . 0.0 108.409 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.445 HG22 ' HG2' ' B' ' 48' ' ' LYS . 75.3 mt 87.18 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.177 1.391 . . . . 0.0 111.279 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' B' ' 82' ' ' THR . 29.8 mmmt -137.34 4.98 2.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 46' ' ' GLU 0.254 0.0 OUTLIER -62.77 -47.17 84.67 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.315 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -56.17 -34.26 66.02 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.275 0.489 . . . . 0.0 112.232 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -81.74 -57.37 3.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.55 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.01 -45.98 79.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.3 t -56.11 -40.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.04 -43.11 88.5 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.602 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -63.33 -35.73 81.35 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.794 0.807 . . . . 0.0 109.713 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.73 -47.31 86.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.417 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -66.03 -28.6 68.98 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.431 0.634 . . . . 0.0 110.257 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.04 -57.06 6.74 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.475 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' B' ' 63' ' ' ASP . 13.7 p -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 6.6 mp -56.03 -31.77 63.43 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -95.72 -50.58 4.87 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.288 0.566 . . . . 0.0 112.14 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.24 -48.68 40.96 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.046 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 59' ' ' THR . 32.4 t70 -76.17 -62.08 1.73 Allowed 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.37 -52.25 1.82 Allowed Glycine 0 CA--C 1.525 0.657 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.585 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 69.44 -46.99 0.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.953 2.501 . . . . 0.0 112.569 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.79 -14.08 10.62 Favored Glycine 0 C--N 1.299 -1.499 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 12.1 pt-20 -157.39 -179.03 7.8 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.573 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.0 t -145.84 133.13 20.57 Favored 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 172.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -106.5 166.41 10.57 Favored 'General case' 0 C--N 1.283 -2.292 0 O-C-N 124.155 0.909 . . . . 0.0 109.63 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 78' ' ' ALA . 13.0 p90 -63.82 -24.07 67.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.246 0.546 . . . . 0.0 110.499 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.877 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.573 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 49.7 mt-10 -78.43 -31.24 48.05 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -54.39 -46.6 73.11 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.447 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.59 -53.79 36.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.342 174.686 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -49.9 -54.24 20.9 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.964 0.79 . . . . 0.0 112.773 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 74.1 m-85 -65.7 -42.83 90.69 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.445 ' HB ' HD23 ' B' ' 40' ' ' LEU . 10.5 p -71.97 -32.71 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 120.998 0.428 . . . . 0.0 110.935 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 70' ' ' PHE . . . -74.87 -33.92 62.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.317 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 75' ' ' ALA 0.267 25.5 ptt? -82.9 -31.34 27.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.542 -1.263 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.83 -39.33 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.541 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.476 HG21 ' HE1' ' A' ' 7' ' ' MET . 11.0 m -85.23 -24.21 27.92 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.99 -177.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 60.1 m -138.3 -102.06 0.18 Allowed 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 121.555 -0.716 . . . . 0.0 112.716 -176.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' B' ' 79' ' ' MET . . . 51.58 173.94 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.05 0.94 . . . . 0.0 112.919 -173.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.1 m 66.6 -52.81 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.215 1.406 . . . . 0.0 114.694 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -127.71 70.41 1.33 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.303 -1.455 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.893 -175.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 120.532 0.206 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.27 -33.52 73.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.388 0.675 . . . . 0.0 110.325 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.464 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 3.1 tm? -69.86 -32.58 71.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.86 -52.22 66.0 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.262 0.351 . . . . 0.0 111.188 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.411 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.598 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -82.1 -63.38 1.39 Allowed 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -58.92 -41.11 86.5 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.507 0.504 . . . . 0.0 110.944 -171.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.51 -38.99 82.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.78 94.04 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.6 mp -64.58 -51.5 62.44 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.958 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -71.02 -31.73 46.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-O 121.143 0.496 . . . . 0.0 112.0 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.0 -22.42 31.37 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 10' ' ' LEU . 8.6 p -65.97 -33.16 61.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.61 177.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 69' ' ' ASP . 63.1 m-85 -66.22 -29.35 69.59 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-O 121.46 0.647 . . . . 0.0 110.598 173.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -76.37 -48.52 19.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.164 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.85 -44.93 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.716 0.806 . . . . 0.0 110.514 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -84.98 80.23 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.021 0.915 . . . . 0.0 108.896 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -75.64 104.82 6.37 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.5 162.49 47.55 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.945 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -32.77 72.25 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.907 0.86 . . . . 0.0 108.771 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 65.4 tt0 -115.91 -19.74 10.28 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.145 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -59.71 -51.9 56.25 Favored Glycine 0 CA--C 1.499 -0.915 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 173.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.9 81.28 8.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.8 tmtt? -176.57 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 125.601 1.56 . . . . 0.0 106.844 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -176.32 79.45 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 10.5 mmpt? 63.5 174.75 0.16 Allowed 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.881 1.272 . . . . 0.0 113.453 176.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -110.57 138.43 46.97 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.011 -0.431 . . . . 0.0 112.115 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.78 150.62 1.4 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.602 1.161 . . . . 0.0 111.979 172.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 82.2 mttt -68.27 -30.19 69.15 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.882 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.6 m -62.89 -30.57 71.63 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.19 -30.81 58.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.29 -29.15 70.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.295 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.9 tmmt? -56.75 -50.44 72.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.998 0.904 . . . . 0.0 111.476 176.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.33 -22.81 61.87 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -75.02 -47.33 29.57 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 HD12 ' A' ' 40' ' ' LEU . 14.8 pt -63.99 -32.18 56.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 CA-C-O 121.947 0.88 . . . . 0.0 111.979 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.11 -41.46 79.0 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.599 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -93.45 -61.69 1.51 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.215 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' B' ' 3' ' ' LEU . 10.1 tp10 -106.24 73.46 0.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.957 0.884 . . . . 0.0 110.879 -172.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 77' ' ' VAL . 5.1 tt -175.42 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.1 m -58.95 96.28 0.03 OUTLIER 'General case' 0 C--O 1.242 0.693 0 O-C-N 124.709 1.256 . . . . 0.0 109.644 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -159.44 119.39 3.03 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 60.52 53.52 4.12 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.6 mt -81.36 85.02 6.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -94.32 -52.79 4.19 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.37 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.73 -47.72 81.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.517 -1.22 . . . . 0.0 111.23 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.448 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 47.5 mm 66.12 71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.375 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -144.79 10.77 1.38 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.482 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -89.3 -15.26 33.88 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.555 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -48.57 -29.97 4.82 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.631 1.572 . . . . 0.0 111.69 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.45 -58.8 3.03 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 HG12 ' A' ' 80' ' ' VAL . 47.1 t -72.02 -31.61 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.175 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 56' ' ' VAL . 75.4 t -68.23 -39.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 122.036 -0.415 . . . . 0.0 111.379 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.63 -37.5 84.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.148 0.975 . . . . 0.0 108.888 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -27.11 61.5 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.537 -1.211 . . . . 0.0 112.59 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.3 p -70.4 -36.57 67.23 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -67.84 -40.24 83.74 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.54 -58.47 8.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.31 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -64.85 -42.79 94.6 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 18.3 tp -53.29 -46.17 69.22 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.922 0.764 . . . . 0.0 110.87 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.05 -41.86 21.97 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.578 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.52 -43.12 93.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.767 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.46 -77.42 0.15 Allowed 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.978 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.05 32.9 5.03 Favored Glycine 0 N--CA 1.475 1.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 114.285 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.01 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.63 64.61 0.54 Allowed Glycine 0 CA--C 1.465 -3.089 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 63.17 178.73 0.15 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 126.096 1.758 . . . . 0.0 110.457 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 13.9 p -148.64 156.04 41.86 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.412 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 15.9 t70 -160.43 -144.31 0.11 Allowed 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' B' ' 78' ' ' ALA . 48.1 p90 -40.57 -50.2 2.97 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.582 1.953 . . . . 0.0 115.596 -172.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.51 -54.48 39.3 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.675 0.75 . . . . 0.0 110.669 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.37 -33.1 61.02 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.477 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.585 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.4 t80 -54.63 -56.88 14.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.517 ' SD ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -58.1 -40.59 81.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.577 -178.381 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.2 69.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.456 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -64.95 -48.2 74.9 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.609 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.3 p -65.89 -50.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -22.96 65.1 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.439 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.657 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 24.4 ptt? -80.38 -38.12 30.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.379 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG12 HG12 ' A' ' 52' ' ' VAL . 33.0 m -73.88 -34.56 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.242 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -84.58 -43.67 14.25 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -110.78 -49.56 3.03 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 79' ' ' MET . . . -65.05 -7.52 12.38 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 49' ' ' GLU . 85.3 m -61.33 -22.25 64.74 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.587 0.708 . . . . 0.0 109.879 172.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.0 27.92 3.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.223 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 125.282 1.433 . . . . 0.0 112.802 -178.466 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 . . . . . 0 N--CA 1.427 -1.617 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 . . . . . 0 C--O 1.256 1.402 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.534 -174.245 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 109.52 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 3.1 tm? -70.83 -34.83 72.1 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.781 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.83 -46.69 87.09 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -69.62 -29.6 67.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.113 0.483 . . . . 0.0 110.189 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.602 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -81.97 -63.65 1.34 Allowed 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -58.3 -40.61 82.45 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.421 0.451 . . . . 0.0 111.032 -171.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -66.97 -39.9 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.667 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.61 90.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.602 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.6 mp -66.8 -52.01 49.02 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.96 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 45.0 pt -70.51 -31.77 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.147 0.498 . . . . 0.0 111.893 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.66 -22.7 32.06 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.531 HG12 ' O ' ' B' ' 10' ' ' LEU . 10.0 p -66.26 -33.1 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.603 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -65.93 -29.52 69.95 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.502 0.668 . . . . 0.0 110.626 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -76.43 -48.96 17.94 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.658 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -52.24 -43.11 64.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.444 1.097 . . . . 0.0 111.256 176.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -89.78 79.99 6.61 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.0 m -72.52 124.53 25.41 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.837 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.25 163.76 21.13 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.143 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -73.34 -28.77 62.24 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 122.139 0.971 . . . . 0.0 108.881 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' B' ' 24' ' ' LYS . 38.7 tt0 -117.7 -21.78 8.33 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.11 -1.404 . . . . 0.0 108.271 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 26' ' ' LYS . . . -59.02 -48.85 83.91 Favored Glycine 0 C--N 1.343 0.922 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 172.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.04 79.63 9.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' B' ' 21' ' ' GLU . 13.5 tmtt? -174.62 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -175.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -174.37 78.02 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.321 173.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 10.7 mmpt? 64.0 174.89 0.18 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 125.142 1.377 . . . . 0.0 113.233 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.8 134.47 52.0 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -173.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -45.95 148.61 0.78 Allowed 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 125.171 1.389 . . . . 0.0 112.059 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 83.8 mttt -67.04 -29.65 69.51 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.344 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.3 m -63.62 -28.53 69.98 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.429 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.24 -31.73 49.35 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.421 0.629 . . . . 0.0 109.706 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -29.33 70.08 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.048 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -57.36 -48.2 79.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.842 0.857 . . . . 0.0 111.756 175.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.48 -25.56 60.51 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.285 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.29 -47.86 46.76 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.699 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.543 HG22 HD12 ' B' ' 40' ' ' LEU . 16.3 pt -63.62 -32.99 58.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 121.903 0.859 . . . . 0.0 112.048 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.04 -38.25 72.94 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.063 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -97.49 -63.58 1.12 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.361 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 3' ' ' LEU . 10.8 tp10 -103.12 73.16 1.21 Allowed 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.972 0.892 . . . . 0.0 110.257 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HG23 ' B' ' 77' ' ' VAL . 5.3 tt -177.61 -52.1 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -60.25 95.29 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.668 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -159.69 116.96 2.63 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.07 -174.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 61.62 51.8 3.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.81 86.65 5.96 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.29 -46.6 5.22 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.223 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.71 -40.15 94.02 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.035 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.441 ' HA ' ' OE1' ' B' ' 49' ' ' GLU . 44.3 mm 57.87 70.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-O 122.742 1.258 . . . . 0.0 111.582 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -146.55 10.94 1.11 Allowed 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 113.53 -1.668 . . . . 0.0 108.524 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -88.88 -17.68 29.13 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 113.787 -1.552 . . . . 0.0 107.386 -179.343 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -45.35 -35.95 3.88 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.674 1.59 . . . . 0.0 111.636 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -74.78 -56.14 5.1 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.184 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.496 HG12 HG12 ' B' ' 80' ' ' VAL . 53.7 t -73.1 -32.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.039 -173.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.656 ' O ' HG12 ' B' ' 56' ' ' VAL . 72.0 t -67.79 -39.86 82.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 122.778 0.431 . . . . 0.0 111.26 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.35 -36.41 82.81 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.288 1.042 . . . . 0.0 108.771 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -75.36 -25.26 57.58 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.522 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.656 HG12 ' O ' ' B' ' 53' ' ' VAL . 1.1 p -72.11 -36.18 55.8 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.898 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -67.14 -40.33 86.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -61.0 2.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.236 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.3 p -61.77 -42.84 99.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 19.2 tp -52.52 -47.96 66.32 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 124.002 0.814 . . . . 0.0 110.976 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.8 -43.22 22.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.541 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.72 -39.39 84.5 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.16 -77.62 0.19 Allowed 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.98 37.46 5.51 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 123.375 0.422 . . . . 0.0 113.951 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.05 -72.91 0.07 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.09 65.35 0.4 Allowed Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 64.36 178.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.92 1.688 . . . . 0.0 110.462 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 15.2 p -149.04 156.23 41.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.41 ' OD2' ' HD1' ' B' ' 70' ' ' PHE . 13.0 t70 -158.06 -145.97 0.15 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.41 ' HD1' ' OD2' ' B' ' 69' ' ' ASP . 54.5 p90 -40.6 -47.55 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.69 -58.36 7.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.585 0.707 . . . . 0.0 110.118 -174.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.55 -32.32 65.98 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.268 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.615 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.9 t80 -55.18 -56.91 14.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.501 ' SD ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -57.99 -42.12 84.46 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.143 0.902 . . . . 0.0 111.299 -178.53 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -51.99 66.1 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.407 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -63.82 -48.92 74.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.239 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.616 HG23 ' HG ' ' B' ' 40' ' ' LEU . 6.9 p -64.79 -51.8 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . . . -68.38 -22.62 64.63 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.567 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.687 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 24.5 ptt? -80.18 -37.68 32.8 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 118.344 -1.342 . . . . 0.0 111.201 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.496 HG12 HG12 ' B' ' 52' ' ' VAL . 31.8 m -73.78 -34.3 40.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.292 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 -47.15 10.98 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.922 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -108.18 -47.24 3.58 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -172.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' B' ' 79' ' ' MET . . . -67.13 -3.72 8.27 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -173.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' B' ' 49' ' ' GLU . 77.8 m -67.92 -14.49 63.0 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.694 0.759 . . . . 0.0 109.584 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -140.59 28.47 1.99 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.491 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 114.281 -1.327 . . . . 0.0 113.674 -178.5 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 33.9 m . . . . . 0 C--O 1.243 0.717 0 CA-C-O 121.541 0.686 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 7.2 tp10 -82.7 -38.66 23.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.45 HD11 ' CE1' ' B' ' 73' ' ' PHE . 3.9 mm? -66.8 -27.7 67.78 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.25 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.54 ' HB3' ' O ' ' A' ' 1' ' ' SER . 39.2 tt0 -55.03 -60.21 3.68 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.432 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 16.2 ptpt -63.79 -29.89 71.04 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.223 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.73 -49.95 34.68 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -68.91 -42.16 77.21 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.46 -34.24 67.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.548 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.87 80.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.444 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.52 -41.3 85.15 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.692 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 pt -82.89 -39.4 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 119.821 -0.752 . . . . 0.0 112.904 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.95 -40.15 68.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.919 -0.488 . . . . 0.0 111.256 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.15 -32.2 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 121.27 0.557 . . . . 0.0 109.524 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.08 -42.48 99.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.054 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.63 -44.0 96.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.17 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -52.53 -26.63 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -87.26 90.05 8.22 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 126.72 52.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.678 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -84.96 162.04 36.77 Favored Glycine 0 N--CA 1.425 -2.037 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.52 68.59 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 117.231 0.516 . . . . 0.0 109.804 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -156.44 -70.45 0.11 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.565 1.146 . . . . 0.0 110.163 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.9 -39.6 97.74 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.805 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.537 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 22.7 m-20 -84.61 4.17 33.49 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.445 0.641 . . . . 0.0 110.339 -177.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -97.72 -26.59 14.68 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -87.61 -55.42 3.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 45.4 mtmt -119.28 131.89 55.82 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 172.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.48 -33.52 54.55 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 70.78 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.375 1.07 . . . . 0.0 110.217 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' CE ' ' HA3' ' A' ' 64' ' ' GLY . 44.6 mttm -72.81 -19.43 61.33 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 19.0 m -61.72 -26.72 68.22 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.127 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -85.71 -33.12 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 109.413 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.62 -29.51 70.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.156 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 30' ' ' SER 0.256 0.0 OUTLIER -64.31 -27.84 69.31 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 178.807 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.83 0.824 . . . . 0.0 109.501 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 31.2 tp -71.8 -40.84 68.9 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.642 HG22 HD22 ' A' ' 40' ' ' LEU . 6.2 pt -66.3 -43.52 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -61.99 -26.15 68.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.868 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -97.05 -62.22 1.29 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' B' ' 1' ' ' SER . 26.1 mm-40 -91.94 -52.91 4.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -173.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.642 HD22 HG22 ' A' ' 36' ' ' ILE . 4.1 mp -67.18 -33.78 76.13 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.406 -170.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -122.68 74.88 1.22 Allowed 'General case' 0 N--CA 1.42 -1.973 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.189 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -119.69 14.93 12.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.224 -1.353 . . . . 0.0 107.377 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -110.51 87.37 2.51 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.652 -1.158 . . . . 0.0 107.997 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.95 70.04 9.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.773 0.797 . . . . 0.0 110.724 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -124.99 -77.79 0.59 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.546 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.52 -33.61 60.75 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.672 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm 58.44 76.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.326 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -93.45 -13.58 27.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 122.064 0.935 . . . . 0.0 109.438 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 4.9 pt-20 -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.24 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.98 -40.76 63.99 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 112.14 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.93 -55.83 4.35 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.048 0.928 . . . . 0.0 110.608 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 79' ' ' MET . 58.0 t -72.13 -38.08 61.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.559 ' O ' ' HG2' ' A' ' 57' ' ' MET . 37.6 t -56.3 -41.09 69.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 118.084 0.402 . . . . 0.0 111.771 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.94 -44.91 95.79 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.06 0.457 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.34 -36.15 83.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.541 0.686 . . . . 0.0 109.838 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 12.2 t -62.92 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 C-N-CA 124.773 1.229 . . . . 0.0 110.597 174.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -66.38 -29.56 69.76 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.019 0.438 . . . . 0.0 110.607 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -73.59 -53.26 10.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.963 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -62.31 -34.78 77.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.754 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 3.5 tp -44.43 -40.99 5.9 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 126.266 1.826 . . . . 0.0 110.836 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.32 -49.78 3.28 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.717 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -46.82 43.55 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -72.18 -32.3 66.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.443 ' HA3' ' CE ' ' A' ' 29' ' ' LYS . . . -125.68 -172.94 13.51 Favored Glycine 0 N--CA 1.438 -1.224 0 C-N-CA 119.624 -1.274 . . . . 0.0 113.562 -177.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.35 -51.27 4.44 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.68 42.15 0.02 OUTLIER Glycine 0 C--N 1.283 -2.403 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 156.13 45.03 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 124.176 0.99 . . . . 0.0 110.78 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.4 m -141.27 139.78 33.76 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.806 171.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.21 163.4 24.79 Favored 'General case' 0 C--N 1.277 -2.578 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -64.9 -23.49 67.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 117.938 0.335 . . . . 0.0 111.27 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.32 -35.18 78.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.09 -0.644 . . . . 0.0 109.66 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.54 -29.39 37.16 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -58.58 -44.88 89.95 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 176.107 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -50.02 72.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.651 172.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -55.56 -54.21 46.84 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.748 -177.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -64.12 -40.52 96.37 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.06 -43.19 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.028 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.583 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -67.9 -29.38 68.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.66 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 75' ' ' ALA 0.293 23.6 ptt? -85.35 -34.63 21.76 Favored 'General case' 0 N--CA 1.425 -1.702 0 C-N-CA 118.594 -1.243 . . . . 0.0 113.417 177.086 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.1 m -76.32 -37.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -84.83 -53.13 5.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.254 0.55 . . . . 0.0 111.226 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 21.0 m -89.99 -70.33 0.67 Allowed 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.125 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 54.75 38.41 30.09 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.662 0.785 . . . . 0.0 110.365 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m 75.32 -9.93 1.32 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.214 1.406 . . . . 0.0 112.773 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -85.25 141.29 30.21 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 124.988 1.315 . . . . 0.0 111.797 -173.416 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 CA--C 1.492 -1.268 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 41.5 tt0 . . . . . 0 N--CA 1.433 -1.305 0 O-C-N 126.064 2.103 . . . . 0.0 105.44 -171.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 57.1 m . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 120.856 0.36 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 6.8 tp10 -81.65 -39.93 23.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -175.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 73' ' ' PHE . 3.7 mm? -67.42 -25.28 65.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.38 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' B' ' 1' ' ' SER . 37.4 tt0 -56.83 -60.53 3.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.445 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 17.7 ptpt -60.93 -29.88 69.88 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.446 -176.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.57 -52.33 13.84 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -65.75 -43.36 89.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.66 -33.49 63.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -47.21 79.01 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.863 0.364 . . . . 0.0 110.454 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.12 -40.11 84.4 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.764 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 pt -83.52 -41.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.653 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 20.9 t70 -68.73 -41.35 79.1 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.749 0.309 . . . . 0.0 111.364 -175.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.25 -31.64 47.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.33 -45.69 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.518 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 73.7 t60 -58.46 -44.36 89.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.937 176.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.7 mt-30 -51.07 -29.01 11.74 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.595 0.559 . . . . 0.0 112.5 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -84.09 87.06 7.13 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -103.85 122.9 46.11 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.458 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.16 165.0 46.52 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -37.92 73.37 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 117.583 0.691 . . . . 0.0 109.635 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -151.41 -64.08 0.18 Allowed 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.097 0.559 . . . . 0.0 110.784 172.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.34 96.15 Favored Glycine 0 CA--C 1.501 -0.789 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.627 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 21.5 m-20 -80.97 -0.17 38.26 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 121.201 0.524 . . . . 0.0 110.015 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -94.52 -20.15 19.9 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -93.94 -56.17 2.97 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 48.0 mtmt -120.44 130.95 54.55 Favored 'General case' 0 N--CA 1.42 -1.964 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.51 -34.39 60.81 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -171.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' C ' ' B' ' 66' ' ' GLY . 10.4 mptt 71.6 139.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.71 1.204 . . . . 0.0 110.079 -172.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' CE ' ' HA3' ' B' ' 64' ' ' GLY . 44.9 mttm -73.03 -19.07 61.26 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' B' ' 33' ' ' LYS . 12.7 m -60.44 -28.42 68.27 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.914 174.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -85.56 -31.91 22.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.586 -0.696 . . . . 0.0 109.221 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.36 -28.78 70.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.934 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' B' ' 30' ' ' SER 0.263 0.0 OUTLIER -66.11 -23.03 66.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.715 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.43 -38.47 49.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.071 0.939 . . . . 0.0 108.736 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.557 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 31.2 tp -65.59 -40.06 92.26 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.201 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.594 HG22 HD22 ' B' ' 40' ' ' LEU . 6.6 pt -66.93 -42.21 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -63.79 -27.03 68.91 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.93 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -97.51 -57.62 2.2 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -94.85 -53.58 3.79 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.594 HD22 HG22 ' B' ' 36' ' ' ILE . 4.2 mp -65.95 -36.91 84.64 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.567 -170.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -121.73 77.17 1.33 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 118.424 -1.311 . . . . 0.0 108.79 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -121.17 18.37 11.56 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -114.17 87.44 2.63 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.91 66.81 7.03 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.481 0.658 . . . . 0.0 110.358 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.07 -68.23 0.9 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.622 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.62 -33.04 28.02 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.331 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm 57.36 80.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 124.053 0.941 . . . . 0.0 111.899 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' B' ' 83' ' ' ALA . 30.5 mmmt -98.41 -15.05 19.81 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.125 0.964 . . . . 0.0 109.237 176.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.13 -33.74 67.69 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.839 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -53.76 -41.85 67.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.192 0.52 . . . . 0.0 111.816 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.28 -54.28 5.37 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.906 0.86 . . . . 0.0 110.798 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.466 HG21 ' O ' ' B' ' 79' ' ' MET . 54.5 t -74.27 -38.64 48.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -168.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' B' ' 57' ' ' MET . 26.5 t -56.18 -42.48 73.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 118.034 0.379 . . . . 0.0 111.558 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.48 -42.18 98.38 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 111.614 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.33 -34.99 75.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.427 0.632 . . . . 0.0 109.777 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 10.6 t -62.86 -42.67 97.31 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.796 0 C-N-CA 124.332 1.053 . . . . 0.0 110.36 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.1 mmt -69.62 -20.52 63.61 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.374 0.607 . . . . 0.0 110.951 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -80.76 -56.63 4.01 Favored 'General case' 0 N--CA 1.432 -1.331 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 p -59.78 -34.9 73.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.474 0.71 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.604 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 3.6 tp -45.07 -40.57 6.85 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.889 1.676 . . . . 0.0 110.706 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -106.88 -45.73 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.218 -1.355 . . . . 0.0 113.284 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -77.18 -47.6 19.86 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -73.38 -31.62 64.01 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -170.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.483 ' HA3' ' CE ' ' B' ' 29' ' ' LYS . . . -124.07 -172.18 13.62 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 119.353 -1.403 . . . . 0.0 113.16 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -102.6 -46.08 4.85 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 123.669 0.788 . . . . 0.0 111.379 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.428 ' C ' ' HA ' ' B' ' 28' ' ' LYS . . . 153.92 41.7 0.02 OUTLIER Glycine 0 C--N 1.285 -2.271 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 154.72 47.9 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 124.222 1.009 . . . . 0.0 110.769 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.6 m -139.96 145.24 37.62 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.332 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -134.21 164.05 28.25 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -63.57 -24.7 67.92 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.363 0.265 . . . . 0.0 111.307 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.53 -35.53 80.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.753 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -82.28 -28.8 31.55 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 0.6 OUTLIER -58.76 -44.98 90.73 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 175.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -47.69 82.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.748 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -56.41 -56.08 25.54 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.256 -177.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -63.35 -40.56 97.61 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.86 -42.94 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.138 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.585 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.49 -30.01 68.75 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.566 -177.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.509 ' O ' ' HB2' ' B' ' 83' ' ' ALA 0.295 23.7 ptt? -85.07 -34.21 22.29 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 118.633 -1.227 . . . . 0.0 113.496 177.167 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.96 -36.71 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.185 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -85.17 -53.96 4.92 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.403 0.62 . . . . 0.0 111.361 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 18.4 m -89.32 -69.76 0.7 Allowed 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.737 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 56.19 34.98 24.94 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.69 0.796 . . . . 0.0 110.35 -177.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.9 m 76.97 -7.71 1.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.846 1.659 . . . . 0.0 112.389 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.27 144.93 27.16 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 N--CA 1.485 1.313 0 C-N-CA 124.172 0.989 . . . . 0.0 110.801 -173.413 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.446 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 10.4 m . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.15 -46.68 64.21 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.493 HD11 HG11 ' B' ' 77' ' ' VAL . 22.3 tp -80.71 -37.72 30.14 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.279 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.551 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 45.2 mt-10 -51.46 -53.89 32.52 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 123.919 0.762 . . . . 0.0 111.838 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 1' ' ' SER . 21.8 pttm -69.64 -30.28 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.771 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.78 -44.25 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.65 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -62.46 -47.07 85.64 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.028 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.0 t -59.98 -47.44 91.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.028 178.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.41 75.89 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 60.8 mt -63.87 -44.33 93.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.007 0.432 . . . . 0.0 111.917 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.27 -35.32 15.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-O 121.25 0.547 . . . . 0.0 111.329 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 37.2 t70 -71.26 -38.58 71.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.302 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.8 -32.26 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.379 0.609 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.28 10.69 6.48 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.565 1.174 . . . . 0.0 109.598 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 -33.49 4.82 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.792 175.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 50.9 mt-30 -60.37 -38.23 83.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -47.34 -47.48 25.79 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.983 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.61 -31.91 6.52 Favored Glycine 0 N--CA 1.423 -2.215 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 7.0 ppt_? -75.35 -34.94 61.22 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 tp10 -109.74 -50.58 2.97 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.713 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -57.82 -48.89 78.99 Favored Glycine 0 C--O 1.181 -3.193 0 CA-C-N 113.544 -1.662 . . . . 0.0 113.344 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -85.62 12.23 9.17 Favored 'General case' 0 C--N 1.283 -2.301 0 CA-C-N 118.248 1.024 . . . . 0.0 113.373 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -112.19 -40.84 4.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.147 0.498 . . . . 0.0 110.62 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.438 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . 15.8 m-70 -112.4 -28.79 7.75 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.382 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.0 mmpt? 80.74 -162.42 0.02 OUTLIER 'General case' 0 C--O 1.239 0.519 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -160.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.79 135.78 48.63 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.718 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -53.55 144.88 16.19 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 124.533 1.146 . . . . 0.0 108.395 170.341 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 16.3 ptpt -69.55 -20.08 63.68 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.987 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 3.1 p -62.44 -32.04 72.85 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.724 173.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -84.67 -17.46 38.46 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 121.908 -0.495 . . . . 0.0 112.148 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.4 tm? -60.86 -22.18 63.99 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.598 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.57 -38.24 66.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.71 172.409 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.52 -39.0 88.41 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.011 0.524 . . . . 0.0 110.544 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.6 -59.85 4.08 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.435 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG22 HD12 ' A' ' 40' ' ' LEU . 21.4 pt -64.61 -35.02 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -175.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.64 -29.0 70.0 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.195 0.521 . . . . 0.0 111.218 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -110.14 -60.74 1.76 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -97.08 74.35 2.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 122.15 0.976 . . . . 0.0 109.495 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 HG22 ' A' ' 36' ' ' ILE . 1.6 tt -170.48 -65.92 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -86.08 89.23 7.75 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.822 -173.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 36.5 m80 -127.48 -61.04 1.16 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' B' ' 4' ' ' GLU . 42.7 p90 -99.12 -7.91 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 3.0 mm? -91.27 92.28 8.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.608 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -149.37 18.49 0.94 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -126.79 -20.99 4.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -163.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.06 -80.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 C-N-CA 118.875 -1.13 . . . . 0.0 110.546 -172.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -127.11 -71.6 0.67 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 105.653 -1.981 . . . . 0.0 105.653 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 53' ' ' VAL . 33.3 mt-10 55.37 -65.24 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 164.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -51.3 -42.11 60.95 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -74.38 -28.28 61.03 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 122.1 0.953 . . . . 0.0 110.037 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 80' ' ' VAL . 3.5 t -87.51 -28.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.516 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.668 ' O ' HG12 ' A' ' 56' ' ' VAL . 97.9 t -63.68 -50.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.985 0.421 . . . . 0.0 110.774 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.63 -34.52 78.47 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.336 0.588 . . . . 0.0 110.69 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -30.71 57.14 Favored 'General case' 0 N--CA 1.423 -1.818 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.416 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 53' ' ' VAL . 3.0 p -71.06 -39.69 74.78 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -66.35 -33.11 74.98 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.162 0.506 . . . . 0.0 109.852 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.89 -57.12 4.92 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.487 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -65.21 -42.11 93.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 17.6 tp -58.46 -43.24 88.81 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.532 0.682 . . . . 0.0 110.453 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.38 -38.36 65.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.32 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.03 -44.15 85.52 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.811 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.14 -44.15 85.02 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . 78.51 -124.49 6.68 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 116.387 1.315 . . . . 0.0 116.387 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 12.6 m-20 -86.32 161.44 18.72 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.455 -176.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.44 9.15 4.61 Favored Glycine 0 C--N 1.312 -0.75 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.817 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 28' ' ' LYS 0.266 1.1 mp0 56.52 160.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 176.169 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 58.8 m -96.74 142.16 29.1 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.912 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.27 163.33 15.42 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -61.79 -28.86 69.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.165 0.507 . . . . 0.0 111.318 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -66.52 -33.74 76.37 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.458 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 46.5 mt-10 -72.35 -31.85 65.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' O ' HG12 ' A' ' 77' ' ' VAL . 1.6 t80 -59.55 -47.18 86.55 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.418 ' SD ' HD12 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -70.4 -40.75 73.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.42 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -57.31 -59.09 5.65 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.467 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 90.5 m-85 -61.49 -42.57 98.99 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -69.01 -45.78 79.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.18 72.39 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.226 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.486 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.9 ptt? -78.07 -28.14 48.77 Favored 'General case' 0 C--O 1.198 -1.607 0 C-N-CA 119.215 -0.994 . . . . 0.0 112.673 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' HA ' HG11 ' A' ' 52' ' ' VAL . 34.2 m -69.44 -37.27 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 C-N-CA 118.145 -1.422 . . . . 0.0 109.386 175.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -67.1 -47.52 70.95 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.281 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 36.4 p -93.53 -80.38 0.39 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 62.25 -78.2 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.276 1.83 . . . . 0.0 114.834 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.96 -8.44 57.98 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.776 -173.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' O ' ' HB ' ' A' ' 82' ' ' THR . 56.3 t-80 -133.35 127.68 34.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.835 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--O 1.208 -1.116 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 . . . . . 0 C--O 1.281 2.763 0 N-CA-C 100.299 -3.963 . . . . 0.0 100.299 -178.414 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 32.4 m . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.86 -48.17 59.83 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.484 HD11 HG11 ' A' ' 77' ' ' VAL . 19.8 tp -80.36 -38.4 30.52 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.564 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 45.1 mt-10 -50.3 -53.63 27.24 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 123.819 0.699 . . . . 0.0 112.046 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' B' ' 1' ' ' SER . 23.5 pttm -69.45 -33.97 73.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.6 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -68.2 -44.13 76.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.346 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -61.95 -45.85 91.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.936 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.94 -44.32 97.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.214 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.78 74.91 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 53.8 mt -63.92 -44.63 92.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.133 -175.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.5 mt -79.47 -35.39 16.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.46 -38.8 68.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.45 -32.33 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.89 11.25 5.18 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 122.691 1.234 . . . . 0.0 109.59 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.13 -33.2 4.21 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.967 1.307 . . . . 0.0 110.161 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.65 -32.91 73.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.635 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -49.69 -50.57 43.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -161.58 142.37 10.94 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.93 -33.0 4.49 Favored Glycine 0 N--CA 1.433 -1.542 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -73.82 -30.28 62.62 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 111.619 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.75 -51.78 2.65 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.733 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -56.55 -46.97 87.39 Favored Glycine 0 C--O 1.177 -3.454 0 CA-C-N 113.671 -1.604 . . . . 0.0 113.104 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.1 8.17 21.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 118.362 1.081 . . . . 0.0 113.487 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -108.61 -44.62 4.02 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.245 0.545 . . . . 0.0 110.542 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' B' ' 67' ' ' GLU . 22.4 m-70 -107.36 -29.08 9.48 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.891 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.733 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 8.9 mmpt? 79.85 -163.12 0.02 OUTLIER 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -159.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 7.2 mp -106.82 136.51 46.52 Favored 'General case' 0 C--N 1.287 -2.137 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.499 -176.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HB2' ' HA ' ' B' ' 65' ' ' ASP . 0.0 OUTLIER -55.24 145.76 20.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 124.541 1.151 . . . . 0.0 108.198 170.47 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 17.1 ptpt -70.66 -20.01 62.75 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.807 -173.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.2 p -63.38 -30.3 71.46 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 120.712 0.291 . . . . 0.0 110.415 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.93 -17.59 37.28 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.0 111.81 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.43 ' O ' HD13 ' B' ' 32' ' ' LEU . 3.4 tm? -61.28 -22.31 64.73 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 173.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.45 -38.83 66.79 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.601 172.492 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.42 -36.57 81.52 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.176 0.513 . . . . 0.0 110.983 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.25 -60.15 3.55 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.137 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.517 HG22 HD12 ' B' ' 40' ' ' LEU . 22.7 pt -64.86 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -176.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.12 -32.67 74.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.127 0.489 . . . . 0.0 110.89 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -108.32 -61.2 1.62 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -96.1 75.07 3.02 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 122.142 0.972 . . . . 0.0 109.333 -175.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.517 HD12 HG22 ' B' ' 36' ' ' ILE . 1.8 tt -171.88 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.1 m -85.58 89.95 7.85 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.913 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.551 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 36.2 m80 -131.26 -67.5 0.7 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -92.58 -20.1 21.25 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 117.965 -1.494 . . . . 0.0 110.161 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.94 96.17 6.32 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.527 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -149.43 21.94 0.93 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.66 -25.9 3.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -164.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.46 -80.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 118.811 0.732 . . . . 0.0 111.816 -170.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -129.33 -69.65 0.69 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 40.6 mt-10 53.37 -68.52 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.787 0 N-CA-C 118.845 2.906 . . . . 0.0 118.845 164.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -46.35 -48.18 18.47 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -167.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.07 -34.36 77.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.265 1.031 . . . . 0.0 110.103 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.414 HG11 ' HA ' ' B' ' 80' ' ' VAL . 3.7 t -83.78 -25.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.401 -174.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.647 ' O ' HG12 ' B' ' 56' ' ' VAL . 96.5 t -65.02 -47.94 86.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-O 120.693 0.282 . . . . 0.0 111.098 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.88 -35.5 76.95 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.661 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -71.99 -32.07 66.87 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.647 HG12 ' O ' ' B' ' 53' ' ' VAL . 3.7 p -70.81 -40.69 76.97 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.9 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.6 mmt -64.12 -41.5 97.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.41 -54.96 32.61 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.818 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -67.54 -41.55 84.11 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 18.2 tp -58.67 -44.99 90.36 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 123.642 0.589 . . . . 0.0 110.786 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.55 -35.75 58.05 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.736 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.52 -46.28 90.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.97 -49.04 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.78 -113.18 3.62 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 170.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 9.3 m-20 -92.75 169.44 10.48 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.847 -174.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.34 14.22 7.13 Favored Glycine 0 C--N 1.315 -0.585 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.17 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' B' ' 28' ' ' LYS 0.257 1.3 mp0 54.72 162.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 177.624 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 58.0 m -100.79 139.59 36.26 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.275 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.74 163.55 15.68 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 173.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -58.91 -31.1 68.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.256 0.551 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.66 -34.14 77.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.902 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.46 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 51.0 mt-10 -72.79 -32.27 65.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.543 ' O ' HG12 ' B' ' 77' ' ' VAL . 1.4 t80 -59.3 -48.17 82.63 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -41.45 77.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -59.17 5.67 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.46 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 89.3 m-85 -61.39 -41.84 97.76 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 73' ' ' PHE . 7.3 p -68.97 -45.99 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.77 70.91 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.856 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.537 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 27.0 ptt? -78.87 -25.63 43.92 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.515 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 49' ' ' GLU . 34.2 m -71.44 -35.98 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.062 174.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m -67.8 -49.47 62.16 Favored 'General case' 0 N--CA 1.412 -2.356 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -92.85 -80.06 0.38 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 62.18 -84.38 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.972 1.709 . . . . 0.0 114.282 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.7 m -75.84 -22.39 56.3 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.01 -173.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -123.62 121.33 35.29 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.298 -1.658 0 O-C-N 123.933 0.77 . . . . 0.0 108.949 178.747 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.0 tp10 -73.78 -47.69 37.07 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' B' ' 35' ' ' LEU . 3.2 tm? -80.9 -29.92 35.53 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -177.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.53 -52.01 65.14 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.247 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 52.8 pttt -68.33 -26.78 65.78 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.155 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.52 -53.1 31.47 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.744 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -61.1 -40.14 92.61 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 109.934 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -40.56 89.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.5 mp -62.89 -46.55 87.32 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.243 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.518 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 24.9 pt -72.29 -23.95 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.47 -27.99 29.08 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.717 0.294 . . . . 0.0 110.856 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 10' ' ' LEU . 6.0 p -68.77 -26.03 31.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.744 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 15.3 m-85 -65.66 -44.62 85.74 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.05 -39.29 81.57 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.105 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.57 -23.16 66.78 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -90.65 -172.48 3.41 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -73.2 167.96 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -173.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.552 ' CA ' ' HB2' ' A' ' 23' ' ' ASP . . . 111.44 127.49 5.06 Favored Glycine 0 N--CA 1.414 -2.782 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.451 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -100.04 -34.63 10.0 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 176.024 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.74 -82.23 0.48 Allowed 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.7 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.1 99.44 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.998 -0.546 . . . . 0.0 114.403 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.6 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 2.5 m-20 -81.99 -14.78 55.5 Favored 'General case' 0 C--O 1.2 -1.549 0 CA-C-N 117.218 0.509 . . . . 0.0 110.268 -173.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -81.81 -21.5 37.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.914 0.864 . . . . 0.0 109.507 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -104.45 -41.65 5.68 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.352 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 9.3 mmpt? -118.52 95.05 4.7 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 23' ' ' ASP . 3.3 mm? -58.05 -35.66 71.66 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -166.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 13.1 mptt 83.87 126.87 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 125.152 1.381 . . . . 0.0 109.103 -166.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 12.3 ptmt -64.56 -18.58 64.98 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.547 -177.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 8.5 m -63.98 -28.53 69.88 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.259 173.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.35 -32.37 64.5 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.28 -29.84 69.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.141 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -59.51 -51.77 68.45 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.384 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.69 -29.57 68.87 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.111 0.481 . . . . 0.0 111.3 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' B' ' 3' ' ' LEU . 3.1 tm? -61.72 -55.62 28.37 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.861 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.534 ' HB ' HD12 ' A' ' 40' ' ' LEU . 11.9 pt -64.95 -35.18 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -37.39 60.96 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 7.4 t30 -101.27 -45.09 5.46 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.73 -34.98 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -173.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.675 HD11 HG21 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -75.23 -64.87 0.97 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.709 0.766 . . . . 0.0 108.941 -173.177 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -92.13 37.81 0.99 Allowed 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.412 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 19.8 t-80 -75.78 88.48 2.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.933 0.397 . . . . 0.0 110.515 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 63.81 18.03 10.89 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.797 1.239 . . . . 0.0 112.425 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 tp -143.54 81.03 1.69 Allowed 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.89 -78.96 0.54 Allowed 'General case' 0 C--O 1.186 -2.255 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.079 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -80.06 103.3 9.85 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.491 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.463 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 73.0 mt -135.74 -64.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.1 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -158.31 -23.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.449 1.099 . . . . 0.0 113.111 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.75 -33.8 73.47 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 126.947 2.099 . . . . 0.0 113.543 -176.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.47 -35.3 52.35 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.96 -45.64 84.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.61 0.719 . . . . 0.0 109.16 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 80' ' ' VAL . 39.9 t -74.64 -31.79 27.83 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.504 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 76.5 t -57.81 -43.87 85.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.054 0.541 . . . . 0.0 111.128 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.7 -39.78 94.24 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.519 0.676 . . . . 0.0 110.573 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -67.09 -39.21 86.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.846 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.25 -45.78 97.97 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 125.078 1.351 . . . . 0.0 110.466 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.1 mmt -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.501 0.191 . . . . 0.0 111.149 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.65 -59.5 4.2 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.5 p -61.81 -45.08 95.4 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -50.68 -50.18 55.47 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.864 0.866 . . . . 0.0 110.537 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.19 -42.38 26.18 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.589 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.58 -46.33 88.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.574 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.31 -60.71 2.25 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.187 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.7 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 124.051 0.844 . . . . 0.0 114.773 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 20.9 m-20 -61.24 -31.25 71.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.352 0.596 . . . . 0.0 111.721 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 99.2 3.9 56.57 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 11.2 pt-20 -148.58 -178.24 6.22 Favored 'General case' 0 N--CA 1.409 -2.508 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 6.9 t -157.4 155.71 30.98 Favored 'General case' 0 N--CA 1.415 -2.193 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 171.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -140.02 171.81 13.66 Favored 'General case' 0 C--N 1.274 -2.682 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -60.71 -29.27 69.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.521 0.513 . . . . 0.0 110.025 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -63.91 -42.86 97.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.197 176.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 42.4 mt-10 -71.13 -39.28 72.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.881 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.3 m-85 -55.17 -46.02 75.78 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 123.48 0.488 . . . . 0.0 109.793 174.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.474 ' SD ' HD22 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -64.1 -51.98 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.527 0.517 . . . . 0.0 110.801 176.495 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.76 -59.36 4.97 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -60.49 -45.62 93.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.673 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.2 p -75.06 -35.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.74 -28.04 44.87 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.718 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.485 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 24.8 ptm -70.47 -40.02 73.9 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.425 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 40' ' ' LEU . 34.1 m -72.83 -50.61 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.986 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -85.01 -32.43 22.94 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -111.22 -57.82 2.19 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 79' ' ' MET . . . -54.4 -48.65 71.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -172.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.1 m -81.95 -13.44 57.48 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -97.1 -24.85 15.56 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.232 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.56 1.544 . . . . 0.0 111.995 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -171.732 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.6 tp10 -76.87 -42.29 40.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 35' ' ' LEU . 3.2 tm? -83.75 -30.64 26.51 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.93 -56.08 18.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.945 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 55.5 pttt -64.68 -29.71 70.71 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.424 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.613 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -65.21 -51.93 57.9 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.451 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -62.04 -39.14 91.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.949 0.404 . . . . 0.0 109.986 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.96 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.104 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -63.45 -43.21 98.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.672 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.613 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.6 mp -62.71 -45.52 92.34 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.473 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.479 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 24.9 pt -73.33 -23.89 20.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -176.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.29 -28.82 28.84 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.564 HG12 ' O ' ' B' ' 10' ' ' LEU . 5.4 p -68.41 -26.99 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.676 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 16.1 m-85 -64.93 -44.73 88.52 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.61 -40.58 83.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.296 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.55 -15.46 63.67 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 176.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -95.4 -173.81 3.01 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.0 p -71.05 163.29 27.88 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.278 0.561 . . . . 0.0 112.469 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.545 ' CA ' ' HB2' ' B' ' 23' ' ' ASP . . . 116.77 128.7 4.19 Favored Glycine 0 N--CA 1.415 -2.735 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.068 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.405 ' H ' ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -101.92 -35.14 9.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.176 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.93 -78.59 0.51 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.624 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.06 91.38 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 114.579 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.565 ' O ' ' HA ' ' B' ' 27' ' ' LEU . 9.2 m-20 -78.1 -17.96 56.29 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-N 117.44 0.62 . . . . 0.0 110.185 -173.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -79.12 -24.34 43.46 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.794 0.807 . . . . 0.0 109.943 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -103.07 -40.76 6.34 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.579 0.704 . . . . 0.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 8.8 mmpt? -119.28 94.18 4.34 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.565 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.5 mm? -57.67 -34.93 69.91 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -167.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.2 mptt 80.77 122.82 0.05 OUTLIER 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.364 1.066 . . . . 0.0 109.278 -168.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HB2' ' B' ' 68' ' ' CYS . 11.7 ptmt -59.35 -18.4 37.96 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.557 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 15.0 m -64.94 -31.58 72.89 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 122.283 -0.261 . . . . 0.0 110.303 173.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.5 -30.9 67.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.244 0.545 . . . . 0.0 109.571 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.487 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -61.22 -30.42 70.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.082 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.557 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.3 OUTLIER -59.93 -50.78 72.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.352 175.1 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.13 -34.88 79.46 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 120.972 0.415 . . . . 0.0 111.152 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' A' ' 3' ' ' LEU . 3.2 tm? -58.03 -55.59 32.94 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.286 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.599 ' HB ' HD12 ' B' ' 40' ' ' LEU . 13.7 pt -66.14 -34.68 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -33.13 54.71 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' B' ' 42' ' ' HIS . 6.9 t30 -104.04 -50.06 3.47 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -176.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.96 -32.9 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.752 HD11 HG21 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -74.9 -66.99 0.69 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.053 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -92.66 39.37 1.03 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.137 -172.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' B' ' 38' ' ' ASN . 25.4 t-80 -76.32 90.46 3.19 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 122.183 -0.323 . . . . 0.0 110.365 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 59.84 21.89 10.81 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.577 1.151 . . . . 0.0 111.966 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.32 79.21 1.49 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -103.24 -89.33 0.39 Allowed 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.588 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 103.35 1.78 Allowed 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.52 0.728 . . . . 0.0 112.957 -171.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -135.57 -78.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -154.78 16.09 0.43 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.379 1.071 . . . . 0.0 109.786 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.479 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -97.11 -35.95 10.64 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.39 -174.1 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -54.19 -35.0 61.88 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.48 -48.97 75.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' B' ' 80' ' ' VAL . 45.3 t -70.05 -34.38 59.23 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.583 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.406 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' B' ' 57' ' ' MET . 77.5 t -57.77 -42.32 81.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 C-N-CA 123.108 0.563 . . . . 0.0 111.232 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.88 -37.92 79.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.265 0.555 . . . . 0.0 110.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.37 -38.6 87.92 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.927 0.87 . . . . 0.0 109.424 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.63 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 C-N-CA 124.95 1.3 . . . . 0.0 110.528 172.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -64.18 -28.58 69.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -71.48 -61.16 1.87 Allowed 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -60.95 -43.1 99.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 16.6 tp -51.35 -49.46 61.38 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.817 0.847 . . . . 0.0 110.78 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -83.53 -38.12 22.14 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.478 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -65.13 -49.49 69.71 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.434 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.35 -61.42 2.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.686 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.73 80.95 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 O-C-N 123.962 0.789 . . . . 0.0 114.827 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.82 -22.24 63.31 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 122.069 -0.665 . . . . 0.0 110.804 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.61 5.32 75.06 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -173.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.82 -175.12 5.0 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.505 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 7.6 t -157.93 161.29 38.21 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -146.32 170.77 16.11 Favored 'General case' 0 C--N 1.279 -2.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -60.7 -30.18 69.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -62.93 -39.58 95.02 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.949 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 45.5 mt-10 -75.02 -39.74 60.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.531 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.634 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.6 m-85 -54.91 -46.5 74.86 Favored 'General case' 0 CA--C 1.502 -0.875 0 O-C-N 123.488 0.492 . . . . 0.0 109.788 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.443 ' SD ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.59 -52.57 60.39 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.466 0.479 . . . . 0.0 110.859 176.739 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.78 -59.26 5.13 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -59.96 -47.66 84.88 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.646 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.3 p -73.73 -35.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.848 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.86 52.94 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.29 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.438 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 27.5 ptm -74.68 -34.3 62.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.761 -0.775 . . . . 0.0 110.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.752 HG21 HD11 ' B' ' 40' ' ' LEU . 35.9 m -76.68 -46.64 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.7 m -85.81 -36.91 19.77 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -110.29 -55.48 2.46 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -169.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' B' ' 79' ' ' MET . . . -52.48 -59.68 4.15 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 m -75.5 -18.58 59.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.023 0.439 . . . . 0.0 111.624 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.82 -24.44 23.72 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.555 1.166 0 C-N-CA 125.962 1.705 . . . . 0.0 110.917 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.44 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 73.1 m . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.78 -49.98 70.81 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-O 121.506 0.67 . . . . 0.0 110.626 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD21 HD23 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -87.11 -27.81 22.88 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 39.0 tt0 -54.96 -53.27 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.139 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -65.04 -26.5 68.29 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.356 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -52.02 45.78 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.362 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -64.86 -42.25 95.01 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.57 -42.82 92.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.698 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.33 85.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.588 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.439 HD23 HD21 ' B' ' 3' ' ' LEU . 83.7 mt -53.72 -43.98 69.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.184 0.516 . . . . 0.0 111.155 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 -45.73 24.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.026 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 23.8 t70 -70.93 -31.79 68.5 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.14 -34.32 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -63.7 -42.63 97.94 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.8 t60 -55.09 -38.8 68.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.068 1.347 . . . . 0.0 111.607 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' A' ' 27' ' ' LEU . 5.3 m-85 -66.38 150.73 48.45 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 m -76.6 22.76 0.17 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' HA3' ' HG ' ' A' ' 27' ' ' LEU . . . -124.88 4.74 8.47 Favored Glycine 0 C--N 1.305 -1.156 0 C-N-CA 119.645 -1.264 . . . . 0.0 111.275 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 5.4 ppt_? -59.18 -21.53 59.58 Favored 'General case' 0 C--O 1.209 -1.057 0 C-N-CA 124.219 1.008 . . . . 0.0 113.059 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.72 -45.6 0.88 Allowed 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.28 -30.08 76.82 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 23.7 t70 -83.77 -94.82 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.041 0.92 . . . . 0.0 112.535 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -117.04 15.64 15.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t60 73.64 12.16 4.59 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -166.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 52.9 mtmt -152.25 173.82 14.54 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 17' ' ' TYR . 6.8 mp -116.9 147.04 42.55 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 118.835 0.743 . . . . 0.0 110.94 -171.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -59.57 154.4 17.59 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 99.2 mttt -65.28 -20.66 66.51 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.117 0.484 . . . . 0.0 111.82 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.3 m -61.48 -29.68 70.13 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 123.53 0.732 . . . . 0.0 110.411 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.37 -29.95 25.83 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.752 0.787 . . . . 0.0 109.217 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.89 -30.2 70.72 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.38 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 30' ' ' SER . 6.2 ttmt -51.63 -54.81 23.84 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.25 1.42 . . . . 0.0 110.725 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.39 -36.33 83.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.241 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 12.2 tp -61.14 -53.11 61.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.947 177.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.0 pt -67.91 -25.93 33.52 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -35.07 66.43 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 174.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -112.46 -67.5 0.99 Allowed 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.275 0.56 . . . . 0.0 112.061 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.276 58.2 mm-40 -87.82 74.13 9.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 123.245 1.498 . . . . 0.0 113.678 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.636 ' HG ' HG23 ' A' ' 77' ' ' VAL . 4.1 tt -128.0 -60.81 1.13 Allowed 'General case' 0 C--N 1.269 -2.913 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 171.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -169.96 47.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.715 1.606 . . . . 0.0 107.553 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 m80 73.5 -71.81 0.13 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.638 1.175 . . . . 0.0 112.217 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.52 -79.83 0.47 Allowed 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.374 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 73.2 mt 63.28 90.95 0.08 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.501 1.12 . . . . 0.0 109.966 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -133.59 5.77 3.72 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.77 1.67 4.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -168.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.637 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 3.1 mp -100.36 -72.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 118.384 -1.326 . . . . 0.0 110.274 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 1.7 tmmm? -153.22 -29.04 0.14 Allowed 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.439 0.638 . . . . 0.0 109.577 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.637 ' OE1' ' HB ' ' A' ' 47' ' ' ILE . 2.9 pm0 -55.55 -27.36 48.56 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.191 1.797 . . . . 0.0 112.647 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -28.05 13.66 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.671 0.788 . . . . 0.0 112.92 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.54 -53.72 6.6 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.96 -37.47 79.87 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.271 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.608 ' O ' ' HG2' ' A' ' 57' ' ' MET . 73.1 t -56.47 -40.81 70.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 123.393 0.433 . . . . 0.0 110.572 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.52 -46.37 69.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.455 0.645 . . . . 0.0 109.784 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -62.96 -36.43 83.45 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.301 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.0 t -63.52 -47.16 92.8 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.578 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.131 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.608 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.0 mmt -58.76 -33.33 70.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.153 0.433 . . . . 0.0 112.144 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.77 -59.93 2.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.939 0.399 . . . . 0.0 110.396 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 p -61.65 -41.73 97.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.418 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.9 tp -53.42 -51.03 63.92 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 125.247 1.419 . . . . 0.0 109.84 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.34 -40.64 73.97 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.14 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -76.99 -48.26 18.47 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.597 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -82.58 -33.52 28.03 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 123.175 0.59 . . . . 0.0 112.508 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.63 49.48 4.19 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.961 -0.638 . . . . 0.0 114.649 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.44 -25.61 31.06 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.597 0.713 . . . . 0.0 109.76 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.53 -63.99 1.4 Allowed Glycine 0 N--CA 1.432 -1.577 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.461 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -172.09 178.12 3.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.555 0.342 . . . . 0.0 110.663 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 49.1 t -131.72 120.78 23.2 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 173.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.05 168.1 11.62 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -66.15 -24.6 66.69 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.379 0.609 . . . . 0.0 109.608 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.62 -37.99 88.14 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.045 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 42.0 mt-10 -83.53 -27.06 29.6 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.752 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -54.54 -53.42 54.68 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 172.266 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -46.92 88.65 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.201 174.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -52.33 -56.19 16.49 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.54 -176.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.472 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 71.7 m-85 -62.69 -46.05 89.92 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.636 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.6 p -70.03 -30.78 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.798 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.3 -39.86 31.84 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.515 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.472 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 27.5 ptm -68.68 -36.97 79.21 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 40' ' ' LEU . 27.8 m -65.35 -31.97 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.513 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -78.67 -23.67 45.55 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.057 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -116.12 -88.16 0.59 Allowed 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.981 -0.449 . . . . 0.0 112.138 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.78 76.61 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.489 1.516 . . . . 0.0 113.857 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -169.36 -57.27 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -155.4 -70.91 0.12 Allowed 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -160.3 -98.39 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 97.3 m-85 -104.38 11.04 35.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 122.788 0.435 . . . . 0.0 110.907 -178.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -49.79 -42.04 45.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.4 -0.12 57.25 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -142.4 -60.31 0.45 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 43.5 tt0 . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -166.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' B' ' 4' ' ' GLU . 74.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.42 ' HA ' ' HE3' ' B' ' 5' ' ' LYS . 16.6 tp10 -65.53 -50.34 65.59 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.413 0.625 . . . . 0.0 110.787 -175.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.439 HD21 HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -85.6 -28.72 24.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -176.61 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' B' ' 1' ' ' SER . 42.4 tt0 -55.06 -53.6 53.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.933 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 2' ' ' GLU . 23.1 pttp -67.95 -20.61 65.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.585 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -52.04 18.52 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.183 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.36 -43.32 94.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.88 -43.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.727 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.29 87.08 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.654 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.434 HD23 HD21 ' A' ' 3' ' ' LEU . 84.9 mt -53.23 -43.56 67.39 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.174 0.511 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.65 -45.33 23.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.899 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 21.3 t70 -67.21 -35.46 79.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.09 -34.6 64.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -63.84 -42.52 97.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 6.2 t60 -55.0 -39.34 68.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.764 1.225 . . . . 0.0 111.356 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 -40.49 97.77 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.447 ' HB3' HD21 ' B' ' 27' ' ' LEU . 5.9 m-85 -66.56 149.77 49.98 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -74.32 11.56 0.94 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -170.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.428 ' HA3' ' HG ' ' B' ' 27' ' ' LEU . . . -111.91 3.28 27.26 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 119.716 -1.23 . . . . 0.0 111.613 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' B' ' 20' ' ' ARG . 6.1 ppt_? -58.16 -19.21 31.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.293 1.037 . . . . 0.0 113.411 -176.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -133.08 -50.15 0.87 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.083 0.468 . . . . 0.0 109.826 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.36 -35.89 89.63 Favored Glycine 0 C--N 1.314 -0.663 0 N-CA-C 115.717 1.047 . . . . 0.0 115.717 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.564 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 19.6 t70 -78.03 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.849 0.825 . . . . 0.0 112.476 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -125.86 22.28 7.45 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 t60 68.04 13.5 9.13 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 51.0 mtmt -153.87 173.21 16.23 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 17' ' ' TYR . 6.8 mp -117.42 147.2 42.9 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 118.843 0.747 . . . . 0.0 110.476 -171.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -60.99 158.39 13.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 99.4 mttt -67.71 -22.87 65.24 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -177.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 2.3 p -62.55 -26.68 68.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.611 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.08 -30.47 25.99 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.772 0.796 . . . . 0.0 109.316 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.573 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.33 -29.29 70.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.58 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' B' ' 30' ' ' SER . 7.8 ttmt -51.49 -55.38 19.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.235 1.414 . . . . 0.0 110.734 175.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.17 -32.95 74.89 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.769 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 14.2 tp -65.64 -50.54 64.6 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.611 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 32' ' ' LEU . 9.2 pt -69.11 -24.82 28.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -39.65 64.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.417 173.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -113.41 -65.37 1.19 Allowed 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.403 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.272 60.0 mm-40 -88.55 74.6 8.47 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 123.128 1.442 . . . . 0.0 113.511 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' B' ' 77' ' ' VAL . 4.0 tt -129.72 -59.44 1.07 Allowed 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 103.318 -2.845 . . . . 0.0 103.318 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -171.22 47.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.663 1.585 . . . . 0.0 107.877 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.21 -73.42 0.1 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.396 1.078 . . . . 0.0 112.611 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.36 -78.0 0.52 Allowed 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.434 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.503 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 68.3 mt 61.18 95.22 0.04 OUTLIER 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.445 1.09 . . . . 0.0 110.463 -172.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -140.94 5.75 1.96 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.695 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -129.07 -6.72 4.91 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.558 ' HB ' ' OE1' ' B' ' 49' ' ' GLU . 3.1 mp -96.59 -77.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.934 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.496 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 1.7 tmmm? -148.53 -27.94 0.31 Allowed 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.883 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.558 ' OE1' ' HB ' ' B' ' 47' ' ' ILE . 3.3 pm0 -55.45 -24.3 30.09 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 125.56 1.544 . . . . 0.0 112.068 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -27.69 17.68 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.571 0.749 . . . . 0.0 112.751 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.13 -53.83 6.05 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.2 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.147 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' B' ' 57' ' ' MET . 74.1 t -56.08 -42.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 O-C-N 123.348 0.405 . . . . 0.0 110.272 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.3 -44.22 84.07 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.397 0.617 . . . . 0.0 110.853 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.91 -36.23 81.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.134 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.7 t -61.95 -47.14 94.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.561 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.21 172.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -58.32 -33.6 69.68 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.79 -58.5 4.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.111 0.481 . . . . 0.0 111.269 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 p -63.87 -39.79 95.03 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.044 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.5 tp -53.22 -53.2 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 125.248 1.419 . . . . 0.0 110.028 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.72 -41.87 74.74 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.692 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -74.81 -49.69 19.84 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.83 -36.36 42.64 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.13 40.42 2.53 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -77.79 -23.93 49.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.711 0.767 . . . . 0.0 109.638 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.93 -62.29 1.85 Allowed Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -176.67 175.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.473 0.709 . . . . 0.0 110.264 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 44.5 t -130.49 123.41 29.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.35 167.72 11.01 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.537 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -64.3 -25.87 68.23 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.13 -38.76 92.21 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.258 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 75' ' ' ALA . 41.8 mt-10 -84.97 -25.88 27.49 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.272 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.604 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -54.87 -53.05 60.38 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -47.02 88.36 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.158 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' B' ' 72' ' ' GLU . . . -52.39 -55.78 19.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.633 0.583 . . . . 0.0 112.47 -176.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.489 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 71.5 m-85 -62.79 -45.63 91.75 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.627 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.4 p -70.5 -30.25 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.9 0.381 . . . . 0.0 111.736 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.83 -39.58 30.4 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.724 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.489 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 27.8 ptm -70.14 -36.66 74.9 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.598 HG21 HD11 ' B' ' 40' ' ' LEU . 28.1 m -65.36 -31.02 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.461 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.4 m -79.0 -25.66 43.33 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.051 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.8 p -113.89 -87.94 0.56 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.913 -0.492 . . . . 0.0 112.009 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.54 76.43 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.545 1.538 . . . . 0.0 113.665 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.4 p -167.52 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -148.95 -71.64 0.2 Allowed 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' B' ' 87' ' ' PHE 0.262 0.0 OUTLIER -163.79 -98.31 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.615 0.766 . . . . 0.0 112.629 175.644 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.51 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 96.3 m-85 -102.07 11.64 38.08 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 121.912 -0.492 . . . . 0.0 110.88 -177.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -51.27 -43.01 61.47 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 123.494 0.718 . . . . 0.0 112.445 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -90.39 0.86 57.1 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -143.33 -57.9 0.41 Allowed 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 119.671 -0.812 . . . . 0.0 113.064 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 42.6 tt0 . . . . . 0 CA--C 1.505 -0.782 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 -167.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.475 ' HB3' ' CD ' ' B' ' 39' ' ' GLU . 24.7 m . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 5.9 tp10 -63.31 -47.14 83.5 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.112 0.565 . . . . 0.0 111.177 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.704 ' HG ' ' CZ ' ' B' ' 73' ' ' PHE . 2.8 tm? -70.61 -36.19 73.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 1' ' ' SER . 3.3 tm-20 -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.679 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 2' ' ' GLU . 45.1 mtpt -62.53 -52.35 63.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.561 0.696 . . . . 0.0 109.624 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -59.85 -50.35 74.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.275 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.38 -45.71 80.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.793 0.437 . . . . 0.0 111.891 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -31.46 52.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.71 93.44 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 6' ' ' ALA . 6.6 mp -57.11 -49.07 77.03 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.043 0.449 . . . . 0.0 111.592 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 pt -73.06 -36.82 51.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.62 -37.76 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.76 -29.05 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.992 0.901 . . . . 0.0 108.753 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 68' ' ' CYS . 39.6 t80 -85.42 9.25 16.17 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.855 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.481 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 24.3 t60 -114.0 -46.03 3.03 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -56.54 -50.21 72.53 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.677 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -78.73 125.99 30.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 111.153 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 65.23 41.33 4.48 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-N 114.249 -1.341 . . . . 0.0 107.79 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.86 75.04 0.32 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 113.795 -1.548 . . . . 0.0 113.204 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 6.7 ppt_? -162.3 -34.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 126.399 1.88 . . . . 0.0 106.523 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 34.4 tt0 -105.71 -44.78 4.57 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 15' ' ' HIS . . . -74.33 -4.9 70.45 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.14 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t70 -114.59 36.06 3.97 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -160.64 -56.55 0.05 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.629 -0.67 . . . . 0.0 112.259 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -144.96 21.83 1.59 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 109.568 -173.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 6.3 mmpt? 66.68 173.97 0.25 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.61 -171.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD12 ' OE2' ' A' ' 21' ' ' GLU . 52.9 tp -111.58 149.0 32.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -171.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -73.59 156.57 37.94 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.214 179.385 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 20.9 ptmt -65.19 -24.33 67.34 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.622 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' OG ' ' HA2' ' A' ' 64' ' ' GLY . 10.4 m -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.178 0.513 . . . . 0.0 110.268 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.51 -19.61 30.92 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.388 0.613 . . . . 0.0 109.869 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.3 tm? -62.12 -23.6 66.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.329 1.052 . . . . 0.0 108.736 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 34' ' ' GLU . 1.5 tmmt? -50.38 -50.14 52.37 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.559 1.144 . . . . 0.0 111.122 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.5 mt-10 -70.15 -29.15 65.99 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.539 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -70.87 -42.75 69.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -67.83 -32.3 55.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.355 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 91.5 m-20 -58.13 -31.65 67.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.867 0.365 . . . . 0.0 111.684 174.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -92.74 -39.23 11.37 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 44.3 mm-40 -96.5 -26.14 15.4 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 77' ' ' VAL . 1.9 tm? -111.44 -53.71 2.68 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.39 0.614 . . . . 0.0 110.233 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 14.8 m -78.02 165.09 24.45 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 73.04 0.86 3.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.718 1.207 . . . . 0.0 110.259 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 -58.46 0.95 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.38 90.65 6.34 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.19 -19.77 12.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -131.69 82.84 2.05 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.403 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mt -138.44 -84.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.184 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.11 25.04 0.42 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 -176.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -98.64 -11.52 21.97 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.478 -1.237 . . . . 0.0 113.705 -172.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -55.83 -39.84 71.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.86 -50.41 9.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.069 0.937 . . . . 0.0 109.873 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.22 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.367 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 57' ' ' MET . 65.8 t -55.63 -41.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 123.155 0.285 . . . . 0.0 111.171 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.87 -43.16 89.16 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.73 0.776 . . . . 0.0 110.269 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG22 ' HD1' ' A' ' 76' ' ' PHE . 16.8 t -67.3 -43.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 124.077 0.951 . . . . 0.0 111.152 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.1 mmt -64.32 -32.9 74.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.063 0.458 . . . . 0.0 110.079 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.57 -56.16 8.09 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.75 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -58.81 -41.98 88.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.48 -41.32 80.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.57 -38.37 62.69 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.6 -57.93 4.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.101 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.42 -60.92 2.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' HA2' ' OG ' ' A' ' 30' ' ' SER . . . 74.47 -68.47 1.8 Allowed Glycine 0 C--O 1.251 1.213 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.642 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 67.34 -59.69 0.39 Allowed 'General case' 0 C--O 1.238 0.468 0 C-N-CA 127.003 2.121 . . . . 0.0 113.898 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.29 -33.5 2.36 Favored Glycine 0 C--N 1.285 -2.269 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.0 pt-20 -149.67 156.28 41.62 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 72' ' ' GLU . 13.0 t -102.66 127.95 49.55 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.29 161.56 28.0 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.408 ' HE1' ' HA ' ' B' ' 75' ' ' ALA . 51.8 p90 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.428 0.633 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -70.8 -29.27 65.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.953 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.631 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 8.3 mm-40 -64.14 -52.75 57.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.427 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.678 ' CZ ' ' HG ' ' B' ' 3' ' ' LEU . 0.9 OUTLIER -58.88 -45.57 89.89 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.408 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 tpt -54.13 -51.11 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.796 0.685 . . . . 0.0 110.849 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -49.53 75.09 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.554 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' HD1' HG22 ' A' ' 56' ' ' VAL . 71.9 m-85 -62.11 -49.52 75.56 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 73' ' ' PHE . 6.6 p -68.53 -35.92 72.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.054 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.08 63.52 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.861 -0.525 . . . . 0.0 111.428 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.273 22.9 ptt? -79.17 -23.12 44.13 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 118.655 -1.218 . . . . 0.0 112.593 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 40' ' ' LEU . 27.5 m -79.03 -41.98 23.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.125 173.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.1 m -73.84 -32.97 63.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.381 0.61 . . . . 0.0 111.66 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -122.08 -58.15 1.74 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.739 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 73.31 143.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.556 1.142 . . . . 0.0 112.781 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.4 m 49.13 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.164 1.386 . . . . 0.0 112.871 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -152.95 52.09 0.75 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.6 19.18 0.66 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.798 0.808 . . . . 0.0 110.983 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -83.5 100.64 10.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -150.28 -35.04 0.16 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.296 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -91.53 -70.42 0.69 Allowed 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -85.4 -40.18 16.75 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 37.7 mt-10 . . . . . 0 C--O 1.271 2.207 0 O-C-N 124.767 1.292 . . . . 0.0 108.261 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.434 ' HB3' ' CD ' ' A' ' 39' ' ' GLU . 26.3 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.62 -48.14 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.331 0.586 . . . . 0.0 110.237 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.678 ' HG ' ' CZ ' ' A' ' 73' ' ' PHE . 2.8 tm? -69.03 -31.97 71.15 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.608 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.07 -40.86 95.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.343 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.74 -47.74 71.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.554 0.693 . . . . 0.0 109.803 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.448 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -64.06 -51.66 63.03 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.214 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.06 -47.14 78.48 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.902 0.481 . . . . 0.0 111.951 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.81 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.958 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.42 91.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.416 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 6' ' ' ALA . 6.5 mp -57.37 -48.2 79.66 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.2 pt -73.77 -35.99 45.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.48 -38.43 55.33 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.21 -29.95 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 122.024 0.916 . . . . 0.0 108.611 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' B' ' 68' ' ' CYS . 40.9 t80 -85.26 9.46 15.17 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.953 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.511 ' HA ' ' O ' ' B' ' 22' ' ' GLY . 22.5 t60 -114.32 -45.21 3.05 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 173.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -56.49 -52.02 66.3 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.226 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -76.3 129.23 36.34 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.846 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.4 m 61.08 42.11 12.89 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 124.403 1.064 . . . . 0.0 108.863 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.68 69.23 0.57 Allowed Glycine 0 C--N 1.341 0.84 0 CA-C-N 113.796 -1.547 . . . . 0.0 113.336 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -156.81 -33.8 0.08 Allowed 'General case' 0 C--N 1.282 -2.342 0 C-N-CA 126.078 1.751 . . . . 0.0 107.249 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 34.9 tt0 -105.2 -44.86 4.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 172.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' B' ' 15' ' ' HIS . . . -73.12 -6.76 69.54 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.054 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 20.7 t70 -107.95 19.91 19.42 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.686 1.194 . . . . 0.0 108.491 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -147.19 -54.0 0.22 Allowed 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.623 -0.673 . . . . 0.0 112.188 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -145.04 24.13 1.48 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.468 0.651 . . . . 0.0 109.266 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 6.5 mmpt? 65.4 175.9 0.21 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.309 -171.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.442 HD12 ' OE2' ' B' ' 21' ' ' GLU . 50.2 tp -112.53 149.02 33.27 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -172.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.41 ' HD2' ' OE2' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -72.57 157.0 38.41 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 120.084 -0.647 . . . . 0.0 112.012 178.701 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' B' ' 32' ' ' LEU . 21.3 ptmt -67.27 -24.32 65.77 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.825 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.525 ' OG ' ' HA2' ' B' ' 64' ' ' GLY . 7.5 m -67.61 -31.22 71.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.186 0.517 . . . . 0.0 110.229 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.2 -22.35 28.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.395 0.617 . . . . 0.0 109.712 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.438 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -59.51 -23.44 62.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.347 1.059 . . . . 0.0 108.955 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.575 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 1.5 tmmt? -49.98 -48.01 52.54 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.908 1.283 . . . . 0.0 111.025 174.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.575 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 48.8 mt-10 -74.81 -24.96 58.72 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.888 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -74.82 -42.85 57.26 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.438 HG12 ' O ' ' B' ' 32' ' ' LEU . 4.4 pt -67.21 -30.93 50.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.397 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -57.94 -33.54 68.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -94.73 -31.83 13.61 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 46.9 mm-40 -100.89 -23.25 14.6 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.564 HD23 HG23 ' B' ' 77' ' ' VAL . 1.8 tm? -115.12 -55.31 2.48 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -77.77 164.88 24.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 75.12 -0.15 3.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.99 1.316 . . . . 0.0 110.092 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.39 -61.31 0.92 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.584 0.754 . . . . 0.0 108.973 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.57 86.07 5.49 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -106.77 -20.97 13.18 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -129.72 88.39 2.67 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.243 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mt -140.15 -87.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.897 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.17 23.41 0.74 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.439 ' HB2' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -96.51 -11.38 25.56 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.481 -1.236 . . . . 0.0 114.179 -171.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.07 -41.42 75.1 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -173.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.41 -45.45 16.06 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.135 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.509 -171.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' B' ' 57' ' ' MET . 85.6 t -56.18 -40.88 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.86 -44.11 94.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.609 0.242 . . . . 0.0 111.002 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -64.13 -34.96 79.25 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.792 0.806 . . . . 0.0 109.687 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.429 HG22 ' HD1' ' B' ' 76' ' ' PHE . 19.8 t -67.77 -42.9 86.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.978 176.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -68.33 -26.02 65.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.68 0.752 . . . . 0.0 109.974 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.99 -59.05 2.94 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.877 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -59.14 -42.4 90.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.59 -41.52 77.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.94 -35.0 57.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.42 -55.49 8.92 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.199 -0.909 . . . . 0.0 113.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.89 -63.65 1.1 Allowed 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.525 ' HA2' ' OG ' ' B' ' 30' ' ' SER . . . 75.35 -65.02 2.42 Favored Glycine 0 C--O 1.248 1.004 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.751 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.92 -59.48 0.24 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 127.237 2.215 . . . . 0.0 114.638 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.38 -36.71 1.92 Allowed Glycine 0 C--N 1.285 -2.288 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -147.79 155.36 41.59 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' B' ' 72' ' ' GLU . 17.3 t -100.99 130.9 47.05 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.76 160.33 26.24 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -63.79 -29.62 70.8 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.445 0.641 . . . . 0.0 109.596 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -69.14 -30.28 68.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.044 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.644 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 13.9 mm-40 -64.59 -52.79 55.73 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.704 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -58.42 -46.72 85.91 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.78 -50.26 66.48 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.763 0.664 . . . . 0.0 110.727 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.408 ' HA ' ' HE1' ' A' ' 70' ' ' PHE . . . -62.57 -49.5 75.04 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.98 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.429 ' HD1' HG22 ' B' ' 56' ' ' VAL . 70.7 m-85 -62.79 -49.08 76.37 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.642 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -68.55 -35.64 71.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.93 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.38 -37.92 63.31 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.538 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' B' ' 83' ' ' ALA 0.271 24.0 ptt? -77.09 -22.81 52.2 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 118.812 -1.155 . . . . 0.0 112.652 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.454 HG21 HD11 ' B' ' 40' ' ' LEU . 27.7 m -78.5 -40.94 24.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.059 173.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.3 m -74.83 -33.28 62.14 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.277 0.561 . . . . 0.0 111.746 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.9 m -122.03 -60.35 1.58 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.699 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 74.15 141.38 0.06 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.549 1.139 . . . . 0.0 112.667 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.85 -93.73 0.03 OUTLIER 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.194 1.398 . . . . 0.0 112.618 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' B' ' 87' ' ' PHE . 38.9 t-80 -155.76 49.0 0.52 Allowed 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.81 21.74 0.2 Allowed 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.861 0.839 . . . . 0.0 110.558 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' B' ' 85' ' ' HIS . 51.6 m-85 -85.28 102.61 13.5 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -156.12 -34.54 0.09 Allowed 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.473 0.654 . . . . 0.0 109.404 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -88.76 -70.17 0.66 Allowed 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.136 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -88.02 -39.7 14.45 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.471 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 38.2 mt-10 . . . . . 0 C--O 1.265 1.889 0 CA-C-O 117.391 -1.29 . . . . 0.0 108.258 -171.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -87.16 -44.49 11.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.944 0.402 . . . . 0.0 110.028 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.38 80.52 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 35.3 tt0 -55.46 -52.91 62.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.28 -40.74 82.72 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 123.624 0.577 . . . . 0.0 110.75 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -60.11 -47.79 84.42 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.398 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -66.14 -48.9 69.28 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.846 0.355 . . . . 0.0 110.371 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.58 -34.01 67.49 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.658 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.55 96.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.765 0.257 . . . . 0.0 110.505 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 94.4 mt -58.73 -42.2 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.296 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 pt -86.04 -25.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 38.2 t70 -80.91 -33.82 33.9 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.653 -0.654 . . . . 0.0 111.866 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.53 -34.54 70.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 172.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.64 -41.28 92.8 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.658 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 43.1 t60 -57.7 -46.97 83.64 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.756 1.222 . . . . 0.0 110.439 173.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 96.8 mt-30 -63.01 -40.65 98.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.912 0.485 . . . . 0.0 111.22 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.92 3.29 8.5 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.909 0.385 . . . . 0.0 111.746 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m 62.81 22.84 13.63 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 124.616 1.166 . . . . 0.0 113.328 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.75 55.52 4.89 Favored Glycine 0 C--O 1.202 -1.874 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.56 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.6 -59.67 1.99 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.64 93.62 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.968 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -93.64 171.14 9.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.67 71.47 5.14 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.376 0.608 . . . . 0.0 110.654 -171.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 73.08 -17.68 0.4 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.108 1.763 . . . . 0.0 112.003 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HD2' ' HB3' ' A' ' 69' ' ' ASP . 22.8 mtmt -152.26 162.43 41.15 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -95.75 142.23 28.28 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HD3' ' HG2' ' A' ' 67' ' ' GLU . 42.1 mmtm -59.45 136.33 57.94 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 173.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HE3' ' OD1' ' A' ' 63' ' ' ASP . 66.0 mttm -56.31 -36.24 68.46 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.665 -177.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.591 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 38.3 m -58.79 -30.71 67.79 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.58 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.61 -16.82 38.01 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.2 tm? -61.07 -22.46 64.63 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.591 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.76 -42.97 72.32 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.973 171.511 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.53 -44.2 97.49 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 122.077 0.941 . . . . 0.0 109.371 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 1.3 tm? -60.44 -57.07 14.31 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 113.515 -1.675 . . . . 0.0 109.469 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 40' ' ' LEU . 12.3 pt -61.9 -34.68 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -64.44 -51.5 62.8 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.611 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -109.55 -71.13 0.77 Allowed 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -90.05 69.05 7.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.54 1.162 . . . . 0.0 110.984 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 36' ' ' ILE . 10.1 tt -139.14 -74.93 0.37 Allowed 'General case' 0 C--N 1.281 -2.381 0 CA-C-N 113.224 -1.807 . . . . 0.0 106.499 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 m 178.18 170.64 0.74 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -125.1 26.85 6.84 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-O 121.862 0.839 . . . . 0.0 109.275 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 75.98 131.8 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.972 -1.922 . . . . 0.0 113.565 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -116.49 -80.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -170.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.96 -43.6 5.73 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.286 0.565 . . . . 0.0 110.136 -174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 81' ' ' THR . 1.0 OUTLIER -85.17 117.57 24.2 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.444 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 mm -115.91 85.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 121.926 0.869 . . . . 0.0 109.14 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -119.32 12.18 12.44 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.452 1.12 . . . . 0.0 109.952 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.67 -44.17 87.08 Favored 'General case' 0 C--N 1.265 -3.065 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.515 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.48 -42.62 61.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -82.82 -48.51 10.7 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.282 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -72.25 -29.35 31.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 91.9 t -68.85 -31.17 49.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.617 0.722 . . . . 0.0 109.69 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.0 -41.34 62.02 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -65.23 -37.08 86.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.582 HG23 ' CD1' ' A' ' 76' ' ' PHE . 10.5 p -64.24 -33.64 63.88 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.084 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.4 mmt -65.62 -37.84 87.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.048 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -69.26 -61.37 1.82 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.069 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -55.51 -40.05 71.28 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 tp -54.85 -40.99 70.23 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.72 0.637 . . . . 0.0 111.843 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.46 -38.77 11.25 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.527 0.679 . . . . 0.0 111.313 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -64.48 -26.0 68.24 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.029 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.561 ' OD1' ' HE3' ' A' ' 29' ' ' LYS . 17.2 t70 -52.9 -41.11 64.08 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.19 0.519 . . . . 0.0 110.566 176.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.53 -33.25 4.65 Favored Glycine 0 C--N 1.319 -0.379 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -52.35 -54.56 30.14 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.313 0.557 . . . . 0.0 112.501 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' H ' ' HE2' ' A' ' 29' ' ' LYS . . . 113.99 -36.34 4.06 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.863 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' HD3' ' A' ' 28' ' ' LYS . 36.5 mt-10 -111.5 144.99 39.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 117.89 0.845 . . . . 0.0 111.165 -175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.556 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 8.9 t -126.42 143.25 51.25 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.699 0.799 . . . . 0.0 108.874 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.627 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.3 p30 -138.24 -179.97 6.1 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.387 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -44.0 -34.88 1.86 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.402 1.881 . . . . 0.0 114.304 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -63.45 -45.2 91.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.373 0.606 . . . . 0.0 110.68 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 51.7 mt-10 -74.9 -31.97 61.7 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.543 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 77' ' ' VAL . 5.5 m-85 -55.94 -49.13 74.38 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -52.37 59.53 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.169 0.918 . . . . 0.0 110.565 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.44 -51.47 69.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.404 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CD1' HG23 ' A' ' 56' ' ' VAL . 52.0 m-85 -63.64 -49.15 74.39 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.346 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 73' ' ' PHE . 13.6 p -64.36 -36.93 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.31 72.46 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.506 ' HA ' ' HA ' ' A' ' 83' ' ' ALA 0.262 24.5 ptt? -79.41 -33.32 42.73 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 117.645 -1.622 . . . . 0.0 113.327 -178.454 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.55 -39.28 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.39 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 9.5 m -85.73 -65.58 1.0 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.553 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -87.61 -35.09 18.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.229 -170.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 79' ' ' MET . . . 65.89 25.76 11.14 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.019 1.327 . . . . 0.0 111.035 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.2 m 72.28 -37.47 0.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.817 1.647 . . . . 0.0 114.477 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -97.65 50.15 1.04 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.811 -0.556 . . . . 0.0 112.17 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.275 8.0 mm-40 -138.52 93.76 2.77 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -135.66 14.44 3.41 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -111.82 -54.91 2.57 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.872 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -88.94 -29.01 19.89 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 41.2 t-80 -67.92 -82.94 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 169.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 4.4 mm-40 . . . . . 0 C--O 1.256 1.412 0 C-N-CA 129.996 3.319 . . . . 0.0 103.793 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.542 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.86 -45.79 18.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.039 0.447 . . . . 0.0 109.96 -171.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -35.99 81.37 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 1' ' ' SER . 33.4 tt0 -54.57 -53.0 60.33 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 126.042 1.737 . . . . 0.0 111.157 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.414 ' HA ' HG12 ' B' ' 8' ' ' VAL . 52.4 mtmt -59.76 -42.1 92.49 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 123.779 0.674 . . . . 0.0 110.677 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.13 84.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -66.01 -47.16 75.39 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.891 0.376 . . . . 0.0 110.197 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 5' ' ' LYS . 14.8 p -66.75 -36.19 76.63 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.801 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.5 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -60.86 -41.99 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.005 0.366 . . . . 0.0 110.795 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.22 -42.75 95.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.323 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.63 -25.54 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 30.2 t70 -76.96 -37.42 55.28 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 122.082 -0.386 . . . . 0.0 111.413 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -65.08 -42.37 94.18 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.421 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 29.8 t60 -57.55 -46.73 83.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.834 1.254 . . . . 0.0 110.656 173.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 96.7 mt-30 -64.22 -39.48 94.06 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.902 0.481 . . . . 0.0 111.304 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.09 3.3 8.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.147 0.498 . . . . 0.0 111.628 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.3 m 61.92 25.79 15.53 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.971 1.308 . . . . 0.0 112.965 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.12 52.94 4.7 Favored Glycine 0 C--O 1.205 -1.685 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.45 -35.84 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -107.07 -58.32 1.96 Allowed 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.32 -51.99 52.6 Favored Glycine 0 CA--C 1.501 -0.826 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.688 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.84 173.77 9.19 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 72.21 8.01 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.207 0.527 . . . . 0.0 110.557 -171.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 72.59 -16.88 0.42 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.891 1.676 . . . . 0.0 111.9 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.625 ' HD2' ' HB3' ' B' ' 69' ' ' ASP . 26.2 mtmt -154.03 161.54 41.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 -177.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.1 142.52 27.46 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 118.308 0.504 . . . . 0.0 109.815 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HD3' ' HG2' ' B' ' 67' ' ' GLU . 42.5 mmtm -58.65 137.27 57.64 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.356 173.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.53 ' HG2' ' HB2' ' B' ' 68' ' ' CYS . 63.3 mttm -58.43 -36.46 73.68 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.692 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.629 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 20.6 m -59.18 -29.57 67.56 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.578 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -85.4 -17.02 37.89 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 35' ' ' LEU . 3.3 tm? -61.01 -22.83 64.91 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.629 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.69 -41.31 70.1 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.956 171.749 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.751 0.786 . . . . 0.0 110.096 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.485 ' HG ' ' CE2' ' B' ' 73' ' ' PHE . 1.4 tm? -59.91 -55.61 32.02 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.362 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.02 -35.53 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.88 -37.5 73.02 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -115.03 -76.3 0.58 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -85.56 67.0 9.95 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 122.509 1.147 . . . . 0.0 111.733 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tt -136.26 -70.97 0.46 Allowed 'General case' 0 C--N 1.279 -2.491 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 173.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.2 t 169.66 177.84 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -128.41 28.72 5.42 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.715 0.769 . . . . 0.0 110.077 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 75.2 125.79 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.269 168.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.84 -84.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.07 -43.14 7.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.828 0.823 . . . . 0.0 110.436 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.57 111.72 18.82 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.28 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.491 0.662 . . . . 0.0 109.246 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -120.01 5.93 10.85 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.209 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -43.78 88.34 Favored 'General case' 0 C--N 1.273 -2.756 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -49.99 -44.77 51.12 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.47 -46.71 12.17 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.058 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.98 -31.31 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' B' ' 57' ' ' MET . 98.6 t -67.4 -30.46 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 122.046 0.927 . . . . 0.0 109.323 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.43 -44.02 63.01 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.875 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -66.92 -33.87 76.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.435 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' B' ' 76' ' ' PHE . 11.2 p -64.98 -35.11 74.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -65.7 -30.61 71.31 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.296 0.57 . . . . 0.0 110.25 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.16 -61.29 2.05 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.01 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 p -54.72 -39.54 68.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 tp -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.281 0.562 . . . . 0.0 112.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -98.6 -32.75 11.27 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.449 0.643 . . . . 0.0 111.24 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.72 -26.15 62.36 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.915 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.493 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 17.4 t70 -53.23 -45.8 68.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.176 0.512 . . . . 0.0 109.858 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.55 -27.43 12.22 Favored Glycine 0 C--O 1.238 0.348 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.21 -49.26 69.83 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 117.504 0.652 . . . . 0.0 112.261 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.37 -32.51 6.94 Favored Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.651 -0.785 . . . . 0.0 114.213 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.508 ' HG2' ' HD3' ' B' ' 28' ' ' LYS . 46.9 mt-10 -116.76 139.72 50.25 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 118.037 0.919 . . . . 0.0 111.378 -175.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.53 ' HB2' ' HG2' ' B' ' 29' ' ' LYS . 8.9 t -120.86 145.24 47.83 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.625 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 2.9 p30 -139.87 179.09 6.8 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -44.62 -34.28 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.061 1.744 . . . . 0.0 114.884 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -63.74 -44.34 93.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.419 0.628 . . . . 0.0 109.922 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 46.7 mt-10 -75.58 -32.68 60.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.583 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.554 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.7 m-85 -55.55 -48.31 74.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -52.51 62.34 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.254 0.971 . . . . 0.0 110.55 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.99 -52.19 66.55 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.211 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.589 ' CD1' HG23 ' B' ' 56' ' ' VAL . 53.9 m-85 -63.38 -50.15 71.04 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.496 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.554 HG12 ' O ' ' B' ' 73' ' ' PHE . 14.1 p -63.62 -37.42 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.667 0.27 . . . . 0.0 111.467 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.35 71.88 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.264 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' B' ' 83' ' ' ALA . 26.0 ptt? -79.65 -32.9 41.63 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 117.799 -1.56 . . . . 0.0 113.119 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -67.58 -39.52 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.329 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 10.0 m -85.84 -66.15 0.93 Allowed 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.462 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -88.68 -31.54 18.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.388 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 79' ' ' MET . . . 63.27 27.62 15.51 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.642 1.177 . . . . 0.0 111.058 -175.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m 69.06 -27.66 0.15 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.635 1.574 . . . . 0.0 115.218 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -101.82 27.71 6.26 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.269 14.8 mm-40 -118.73 96.79 5.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -136.73 15.45 3.12 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -116.48 -48.85 2.68 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.275 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.28 -28.26 18.91 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' B' ' 91' ' ' GLU . 44.4 t-80 -69.02 -82.48 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 4.9 mm-40 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 129.898 3.279 . . . . 0.0 104.035 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 3.0 m . . . . . 0 C--O 1.241 0.655 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -74.33 -51.68 14.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -170.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' B' ' 39' ' ' GLU . 1.1 tm? -68.78 -34.92 76.38 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 29.3 tt0 -52.6 -56.11 17.67 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.613 1.565 . . . . 0.0 111.933 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -24.25 67.62 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.37 -42.89 71.19 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.507 ' SD ' HG22 ' B' ' 77' ' ' VAL . 51.4 ttp -63.14 -41.51 99.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.028 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.6 t -59.37 -44.81 93.32 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.997 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.127 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 92.4 mt -59.19 -44.0 92.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.665 0.269 . . . . 0.0 111.247 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -80.22 -32.15 13.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 16.5 t70 -72.43 -31.11 65.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.628 0.727 . . . . 0.0 110.75 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.03 -39.41 79.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.82 -49.35 78.05 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.057 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' ND1' ' HG3' ' B' ' 91' ' ' GLU . 10.1 t60 -44.7 -45.46 9.81 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.77 2.028 . . . . 0.0 112.365 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.73 -47.16 76.26 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.512 ' OH ' ' HG2' ' A' ' 24' ' ' LYS 0.315 1.8 p90 36.69 -128.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.034 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 m -157.79 -60.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.754 0.422 . . . . 0.0 110.847 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.47 116.5 4.28 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.175 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -21.47 66.35 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -101.76 -56.4 2.29 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.676 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.05 -54.03 8.59 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.751 -0.659 . . . . 0.0 114.217 -174.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -78.56 -17.73 55.69 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.352 0.596 . . . . 0.0 111.071 -173.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 5.1 tmtm? -71.83 -41.76 67.8 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.6 -56.15 15.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.758 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 48.4 mtmt -145.31 153.5 41.33 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.13 -41.18 74.28 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.642 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER 73.93 134.24 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.81 1.244 . . . . 0.0 111.697 -173.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' HG ' ' A' ' 60' ' ' LEU . 13.9 mptt -62.73 -36.97 84.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 3.9 m -59.41 -35.01 73.18 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.871 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -85.58 -22.21 28.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.639 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.21 -29.94 70.74 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.6 tmmt? -55.78 -46.23 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 173.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -76.11 -30.7 58.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.14 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -51.45 69.92 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 32' ' ' LEU . 18.2 pt -68.25 -40.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -51.14 -37.3 45.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.79 -46.43 4.7 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.786 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -93.14 -15.61 25.81 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -173.003 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 3.7 tt -79.74 -65.07 1.05 Allowed 'General case' 0 C--O 1.204 -1.321 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -165.06 146.88 7.82 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -103.22 -58.34 1.89 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.537 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.51 52.38 1.53 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.891 0.853 . . . . 0.0 113.123 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.39 30.06 7.4 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HA ' ' CD ' ' A' ' 49' ' ' GLU . 34.0 mt-10 -85.72 25.99 1.02 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.158 -174.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.03 8.31 17.05 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.784 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.3 mt -104.84 -85.01 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -167.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -154.58 17.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 0.0 109.24 -173.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' CD ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -95.05 -12.95 25.66 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -171.251 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.41 -39.52 70.32 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.83 -42.99 17.17 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.868 0.842 . . . . 0.0 111.221 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 2.4 t -75.74 -25.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.534 -169.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 56' ' ' VAL . 71.6 t -65.93 -39.87 85.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.565 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.78 -35.68 79.11 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.508 -0.877 . . . . 0.0 109.38 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -67.41 -37.41 83.01 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.152 177.492 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.723 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 9.0 p -67.75 -36.3 75.49 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.146 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -69.13 -37.63 78.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.364 0.602 . . . . 0.0 109.998 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.47 -54.09 28.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.993 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 p -62.4 -39.84 94.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.498 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.723 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 9.9 tp -46.56 -49.31 18.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.149 1.379 . . . . 0.0 109.924 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.18 -45.41 13.94 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.753 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -76.52 -34.18 58.59 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.69 -55.21 28.88 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.62 -139.32 5.42 Favored Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 117.284 -2.389 . . . . 0.0 116.091 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.87 157.57 7.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 113.099 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -95.44 46.87 1.95 Allowed Glycine 0 N--CA 1.408 -3.231 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.352 -172.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 11.0 pt-20 -112.13 152.03 28.77 Favored 'General case' 0 C--N 1.27 -2.878 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.8 m -130.35 118.55 21.42 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.116 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' HD1' ' A' ' 73' ' ' PHE . 34.1 t70 -98.21 160.13 14.49 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.215 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' B' ' 78' ' ' ALA . 42.1 p90 -57.03 -31.46 65.17 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.112 0.565 . . . . 0.0 111.543 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.06 -36.5 83.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.756 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.17 -39.2 65.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.536 ' O ' HG12 ' A' ' 77' ' ' VAL . 22.7 m-85 -51.53 -59.02 4.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.665 0.603 . . . . 0.0 111.164 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -43.65 89.69 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.798 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.56 65.18 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.183 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 56' ' ' VAL . 37.9 m-85 -60.95 -55.76 29.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.168 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG22 ' SD ' ' B' ' 7' ' ' MET . 7.3 p -59.28 -46.35 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -175.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB3' ' CE1' ' B' ' 70' ' ' PHE . . . -77.39 -26.95 52.3 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.085 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -80.75 -31.72 35.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.178 -1.409 . . . . 0.0 111.107 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 33.6 m -72.47 -39.82 62.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.122 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.219 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -83.81 -23.86 31.24 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -147.09 -56.81 0.25 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.52 60.43 1.37 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 110.973 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' HA ' ' CE2' ' A' ' 87' ' ' PHE . 20.8 m 60.1 -91.47 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.753 1.221 . . . . 0.0 111.405 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.3 m80 33.25 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 50.1 mt-10 -86.18 24.52 1.32 Allowed 'General case' 0 C--O 1.257 1.492 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -168.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 84' ' ' CYS . 20.5 m-85 -75.99 71.36 2.77 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.823 0.82 . . . . 0.0 109.674 172.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 86' ' ' GLU . 44.5 p90 -167.95 -32.25 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 125.321 1.448 . . . . 0.0 108.58 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.84 -65.3 1.03 Allowed 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -82.54 -49.97 9.32 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 172.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG3' ' ND1' ' B' ' 15' ' ' HIS 0.301 8.5 pt-20 . . . . . 0 C--O 1.254 1.32 0 O-C-N 125.755 1.909 . . . . 0.0 109.808 -170.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 2.2 m . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 4.2 tp10 -73.78 -49.75 23.86 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -171.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 1.1 tm? -69.51 -34.36 74.18 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.65 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 29.4 tt0 -54.5 -53.67 51.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.265 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -62.93 -26.25 68.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.697 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -71.08 -42.04 69.9 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 77' ' ' VAL . 53.3 ttp -62.96 -42.01 99.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.664 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 4' ' ' GLU . 66.8 t -59.15 -44.64 92.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.974 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.55 98.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.307 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 94.0 mt -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.739 0.304 . . . . 0.0 111.056 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -80.13 -30.52 12.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 12.7 t70 -72.42 -32.42 66.33 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.544 0.688 . . . . 0.0 109.559 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.41 -41.15 83.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.359 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.02 -49.73 76.79 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.003 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.522 ' ND1' ' HG3' ' A' ' 91' ' ' GLU . 9.1 t60 -44.94 -45.28 10.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.51 1.924 . . . . 0.0 112.164 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.25 -50.84 70.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.419 ' OH ' ' HG2' ' B' ' 24' ' ' LYS 0.286 2.1 p90 37.33 -135.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -175.446 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 62.1 m -151.15 -64.98 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.741 -0.599 . . . . 0.0 110.587 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.0 115.74 4.59 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.829 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -20.31 66.44 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 123.272 0.629 . . . . 0.0 112.666 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.64 -58.59 1.85 Allowed 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.8 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.24 -54.51 13.22 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.418 0.527 . . . . 0.0 114.418 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -77.73 -15.84 58.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.284 0.564 . . . . 0.0 111.049 -173.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.501 ' O ' ' HD3' ' B' ' 24' ' ' LYS . 4.7 tmtm? -75.57 -36.76 60.29 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -69.7 -52.8 22.39 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.879 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' B' ' 67' ' ' GLU . 51.9 mtmt -148.56 155.09 40.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 173.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.08 -41.36 67.44 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.1 OUTLIER 74.48 136.85 0.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.914 1.286 . . . . 0.0 111.767 -173.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.445 ' HB3' ' HG ' ' B' ' 60' ' ' LEU . 13.4 mptt -65.14 -37.07 86.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 9.5 m -62.95 -32.69 74.06 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.063 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -85.4 -21.91 28.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.427 0.632 . . . . 0.0 110.282 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.95 -28.85 70.36 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.474 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 2.4 tmmt? -55.22 -47.45 75.32 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 110.795 173.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.474 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 46.4 mt-10 -76.74 -29.11 56.02 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.014 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -51.69 68.64 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 32' ' ' LEU . 18.0 pt -68.75 -40.78 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -49.54 -36.68 24.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.4 1.08 . . . . 0.0 111.833 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -104.63 -52.68 2.84 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -88.03 -14.48 38.89 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -171.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.647 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 3.9 tt -79.99 -64.7 1.13 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -162.5 147.54 12.29 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -103.95 -49.82 3.54 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.07 174.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -127.74 34.96 4.56 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.32 30.36 2.86 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.767 0.794 . . . . 0.0 109.022 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' CD ' ' B' ' 49' ' ' GLU . 43.0 mt-10 -84.87 28.04 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.743 -176.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.16 13.15 15.69 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.141 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mt -108.71 -91.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -147.59 16.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.487 1.136 . . . . 0.0 109.122 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -89.08 -21.45 23.4 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -170.531 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -53.41 -39.5 64.36 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.83 -43.79 17.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.879 0.847 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 2.6 t -75.55 -25.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.314 -170.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.531 ' O ' HG12 ' B' ' 56' ' ' VAL . 75.9 t -65.89 -37.96 81.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.288 0.566 . . . . 0.0 110.027 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.64 -37.54 76.81 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.432 ' N ' ' HE3' ' B' ' 55' ' ' LYS . 0.4 OUTLIER -66.61 -36.66 83.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.182 178.299 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.756 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 7.7 p -67.75 -35.71 73.47 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.491 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -70.69 -36.51 73.32 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.411 0.624 . . . . 0.0 110.012 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.75 -57.1 9.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.298 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.0 p -61.8 -39.79 92.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.307 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.756 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 10.7 tp -48.0 -39.31 19.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.949 1.299 . . . . 0.0 110.794 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.68 -39.71 9.76 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.226 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.17 -34.33 49.67 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.22 -48.99 75.95 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.34 -132.58 2.54 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 117.227 -2.416 . . . . 0.0 116.007 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -71.96 159.85 33.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.451 0.7 . . . . 0.0 112.094 -172.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -93.29 45.28 2.43 Favored Glycine 0 N--CA 1.412 -2.911 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.882 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.499 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 13.5 pt-20 -109.21 151.19 26.83 Favored 'General case' 0 C--N 1.268 -2.976 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.437 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 61.7 m -130.67 117.71 19.88 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.572 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.43 ' O ' ' HD1' ' B' ' 73' ' ' PHE . 16.1 t70 -95.54 160.48 14.49 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 78' ' ' ALA . 34.8 p90 -58.13 -31.0 66.77 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.174 0.59 . . . . 0.0 111.284 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -65.53 -36.48 83.93 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.509 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 39.7 mt-10 -73.49 -39.73 64.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.531 ' O ' HG12 ' B' ' 77' ' ' VAL . 23.5 m-85 -51.63 -59.43 4.28 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.799 0.687 . . . . 0.0 111.256 175.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -42.99 87.86 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.808 0.693 . . . . 0.0 111.76 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.09 50.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.036 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.607 ' CD1' HG23 ' B' ' 56' ' ' VAL . 38.6 m-85 -59.86 -55.72 30.73 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.125 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.537 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.3 p -59.53 -46.88 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.41 ' HB3' ' CE1' ' A' ' 70' ' ' PHE . . . -77.23 -24.12 51.25 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.03 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -83.39 -34.12 25.62 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 118.445 -1.302 . . . . 0.0 111.028 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.51 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 33.3 m -70.3 -39.08 76.26 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.203 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 m -83.94 -23.26 31.19 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.701 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.9 m -150.04 -56.16 0.17 Allowed 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 63.59 59.63 1.18 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.216 1.006 . . . . 0.0 111.845 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 m 62.41 -93.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 35.93 -90.28 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.479 ' HA ' ' CE2' ' B' ' 88' ' ' PHE . 59.0 mt-10 -84.32 23.64 1.07 Allowed 'General case' 0 C--O 1.255 1.364 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -169.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.84 75.25 2.78 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.842 0.829 . . . . 0.0 110.443 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' B' ' 86' ' ' GLU . 49.3 p90 -173.83 -28.47 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 125.945 1.698 . . . . 0.0 108.468 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.46 -69.57 0.62 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -80.65 -48.07 13.17 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.544 ' HG3' ' ND1' ' A' ' 15' ' ' HIS 0.281 9.0 pt-20 . . . . . 0 C--O 1.246 0.914 0 O-C-N 125.789 1.931 . . . . 0.0 109.408 -169.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.431 -1.405 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.46 -42.81 24.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -34.12 75.3 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -44.42 -60.48 1.93 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.601 1.16 . . . . 0.0 110.481 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -79.71 -21.01 45.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.547 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -68.41 -45.51 72.43 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.525 176.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.442 ' HG3' HG22 ' B' ' 77' ' ' VAL . 17.2 tmm? -59.95 -41.91 92.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.305 0.574 . . . . 0.0 109.7 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.31 -37.18 77.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.541 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.26 85.03 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.1 mp -59.42 -35.16 73.47 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.235 0.541 . . . . 0.0 110.524 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.91 -45.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.201 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.8 t70 -65.84 -38.11 88.0 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -68.87 -34.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.187 0.518 . . . . 0.0 109.85 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -68.74 -39.77 80.17 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 11.0 t60 -56.33 -40.2 74.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.617 1.967 . . . . 0.0 110.854 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 16.1 mm100 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -86.47 150.83 24.0 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.329 0.585 . . . . 0.0 112.075 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -73.4 37.67 0.09 Allowed 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.318 1.447 . . . . 0.0 114.854 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.3 -8.67 3.19 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.256 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -57.76 -18.93 24.39 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -132.89 -50.63 0.89 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 121.97 -0.456 . . . . 0.0 110.293 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.6 75.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.588 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 14.1 t70 -87.31 -96.44 0.09 Allowed 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.412 -0.915 . . . . 0.0 112.132 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 24.0 tptm -117.42 22.47 12.41 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.1 t60 71.51 13.49 6.43 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.282 -1.781 . . . . 0.0 106.896 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 53.8 mtmt -163.99 -177.58 5.14 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . 8.6 mp -111.02 147.42 34.8 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 119.485 1.039 . . . . 0.0 110.019 -173.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -65.83 163.0 17.71 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 99.4 mttt -67.98 -29.72 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.438 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 15.7 m -65.4 -22.89 66.84 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.946 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 27' ' ' LEU . 16.9 mm-40 -85.91 -28.45 24.34 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.791 0.805 . . . . 0.0 109.847 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.1 tm? -60.85 -22.65 64.45 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.754 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HE3' ' O ' ' A' ' 30' ' ' SER . 3.1 ttmt -52.23 -50.94 61.01 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.481 175.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.59 -39.02 93.32 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.906 0.86 . . . . 0.0 110.107 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.632 HD21 ' CE2' ' A' ' 73' ' ' PHE . 26.4 tp -63.71 -51.21 66.01 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.522 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.6 pt -68.34 -25.55 31.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -55.6 -37.71 68.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.581 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -112.73 -61.23 1.76 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.03 71.89 10.15 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 123.022 1.392 . . . . 0.0 112.385 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 77' ' ' VAL . 4.9 tt -131.01 -64.91 0.8 Allowed 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 173.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -166.73 55.44 0.09 Allowed 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.266 1.426 . . . . 0.0 107.849 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.5 m80 70.36 -67.95 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.919 1.288 . . . . 0.0 112.949 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -134.51 -80.52 0.45 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 57.4 mt 59.09 98.72 0.02 OUTLIER 'General case' 0 C--N 1.341 0.203 0 O-C-N 124.637 1.211 . . . . 0.0 110.776 -173.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -135.51 -9.63 2.17 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.1 10.57 5.87 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -171.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 48' ' ' LYS . 3.1 mp -113.88 -72.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 118.473 -1.291 . . . . 0.0 113.244 -170.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HG2' HG22 ' A' ' 47' ' ' ILE . 13.9 mmmm -123.77 -52.06 1.8 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 122.778 1.275 . . . . 0.0 109.381 -175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -56.5 -29.43 61.8 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.063 2.545 . . . . 0.0 114.024 -173.43 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -55.87 -22.14 23.84 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.22 -47.29 13.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.466 HG12 HG23 ' A' ' 56' ' ' VAL . 22.0 t -85.43 -26.91 6.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -169.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 57' ' ' MET . 78.1 t -55.44 -43.72 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.092 0.406 . . . . 0.0 111.705 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 30.7 t70 -63.79 -44.82 92.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -62.58 -34.28 76.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.053 0.941 . . . . 0.0 110.514 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 52' ' ' VAL . 5.0 t -68.33 -41.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 124.748 1.219 . . . . 0.0 110.57 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.042 0.448 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 37.6 mm-40 -66.99 -58.24 5.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.857 173.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -59.5 -41.51 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.09 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 2.8 mp -50.35 -51.98 41.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.418 0.687 . . . . 0.0 111.248 175.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.44 -43.55 60.09 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.836 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.23 -49.22 36.9 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.736 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.91 -44.63 8.8 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.32 49.84 3.99 Favored Glycine 0 CA--C 1.499 -0.931 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -168.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -80.84 -23.85 38.84 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.583 0.706 . . . . 0.0 109.813 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.74 -56.78 3.24 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.469 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 10.0 pt-20 -178.4 179.97 0.73 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.584 0.753 . . . . 0.0 110.565 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -136.05 121.79 19.75 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -90.61 171.13 9.6 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -74.7 -17.46 60.66 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.23 -35.41 73.84 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.949 -1.101 . . . . 0.0 109.494 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -77.26 -30.31 54.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CE2' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.53 -51.95 51.01 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 171.145 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.8 -51.67 68.32 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.325 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.93 -51.77 54.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.01 -49.93 70.5 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.5 p -67.5 -32.56 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.408 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.87 29.92 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.832 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -67.0 -40.77 87.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 40' ' ' LEU . 34.2 m -62.38 -31.78 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.441 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 m -84.12 -36.13 23.17 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.861 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 p -94.45 -22.17 18.45 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -35.58 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.5 p 169.87 -48.88 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 126.918 2.087 . . . . 0.0 106.361 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -157.48 -166.49 2.04 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 102.204 -3.258 . . . . 0.0 102.204 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.26 -66.87 0.9 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 119.062 0.846 . . . . 0.0 109.723 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 2.9 m-85 -103.82 83.05 2.07 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.16 -87.16 0.64 Allowed 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.165 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -90.98 61.06 4.53 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 122.131 0.967 . . . . 0.0 111.551 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 178.2 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.269 -2.93 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.513 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 44.9 tt0 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 42.9 m . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.05 -43.93 32.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.79 -33.18 70.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' B' ' 1' ' ' SER . 8.4 tp10 -46.28 -57.01 4.96 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.708 1.203 . . . . 0.0 110.662 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -83.06 -21.6 33.72 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.503 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -66.29 -47.23 74.3 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 122.982 0.176 . . . . 0.0 110.901 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.426 ' HG3' HG22 ' A' ' 77' ' ' VAL . 17.0 tmm? -58.19 -41.93 85.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.35 0.595 . . . . 0.0 110.021 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.34 -37.48 78.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.724 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.41 89.56 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.503 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.2 mp -59.93 -34.66 73.54 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.196 0.522 . . . . 0.0 110.526 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.0 mt -80.42 -45.75 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.316 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 38.5 t70 -66.93 -36.54 82.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.4 -33.56 58.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.83 -39.07 76.69 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 7.8 t60 -57.68 -41.32 81.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.186 1.794 . . . . 0.0 110.73 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 16.3 mm100 -64.43 -35.13 79.93 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.069 0.548 . . . . 0.0 112.288 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -73.82 149.78 41.43 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.382 0.611 . . . . 0.0 112.631 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -75.18 50.51 0.49 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.349 1.06 . . . . 0.0 113.72 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.16 -2.44 0.99 Allowed Glycine 0 C--N 1.312 -0.79 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.563 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -16.45 58.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.681 0.792 . . . . 0.0 112.934 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.11 -55.69 0.86 Allowed 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.77 72.88 Favored Glycine 0 C--N 1.319 -0.404 0 N-CA-C 116.281 1.272 . . . . 0.0 116.281 -173.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.595 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 14.5 t70 -79.31 -90.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.957 0.879 . . . . 0.0 112.773 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.519 ' HG2' ' HB3' ' B' ' 67' ' ' GLU . 24.1 tptm -122.33 18.53 10.62 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 t60 75.11 11.9 3.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.755 -169.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.595 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 52.8 mtmt -164.5 179.65 6.56 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' B' ' 31' ' ' GLU . 8.3 mp -108.25 147.89 30.75 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 119.506 1.048 . . . . 0.0 110.167 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -65.65 162.37 18.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 168.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 99.5 mttt -67.73 -30.47 69.96 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.487 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.535 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 15.9 m -64.29 -23.7 67.39 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 27' ' ' LEU . 11.4 mm-40 -85.76 -31.07 22.58 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.653 0.74 . . . . 0.0 109.628 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.503 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -58.77 -23.24 59.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.694 1.198 . . . . 0.0 109.041 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -52.15 -48.03 65.13 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.761 1.224 . . . . 0.0 111.913 175.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.58 -34.97 74.91 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.813 0.816 . . . . 0.0 110.453 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.645 HD21 ' CE2' ' B' ' 73' ' ' PHE . 26.4 tp -64.71 -50.33 67.36 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.041 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.5 pt -68.24 -24.52 29.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -55.77 -38.59 70.09 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.438 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -112.97 -60.45 1.88 Allowed 'General case' 0 C--O 1.25 1.08 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.19 71.92 10.01 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.043 1.401 . . . . 0.0 111.959 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.523 ' HG ' HG23 ' B' ' 77' ' ' VAL . 4.6 tt -131.98 -64.75 0.77 Allowed 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 103.649 -2.723 . . . . 0.0 103.649 173.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -165.41 52.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.946 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.9 m80 71.45 -65.92 0.32 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.615 1.166 . . . . 0.0 112.015 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.93 -79.96 0.44 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.437 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 52.4 mt 59.37 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.618 1.199 . . . . 0.0 110.858 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -134.51 -5.82 2.56 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.099 -0.376 . . . . 0.0 111.695 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -135.85 9.96 3.34 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.538 HG22 ' HG2' ' B' ' 48' ' ' LYS . 2.9 mp -113.75 -76.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 C-N-CA 117.717 -1.593 . . . . 0.0 112.143 -171.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.538 ' HG2' HG22 ' B' ' 47' ' ' ILE . 14.3 mmmm -118.53 -51.99 2.38 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 122.43 1.109 . . . . 0.0 109.548 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.47 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -57.71 -30.46 65.53 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.022 2.529 . . . . 0.0 113.861 -173.075 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -53.57 -24.45 13.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -80.88 -46.84 14.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.469 HG12 HG23 ' B' ' 56' ' ' VAL . 19.8 t -85.69 -28.73 6.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.524 -170.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' B' ' 57' ' ' MET . 76.2 t -54.75 -43.73 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.15 0.432 . . . . 0.0 111.726 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.96 -45.91 90.23 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.379 0.609 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -62.6 -34.02 76.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.146 0.978 . . . . 0.0 110.386 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.469 HG23 HG12 ' B' ' 52' ' ' VAL . 4.6 t -68.51 -41.16 82.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.587 0 C-N-CA 124.663 1.185 . . . . 0.0 110.664 174.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.9 mmt -64.61 -36.39 84.08 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.464 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -63.24 -56.82 13.44 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 123.954 0.784 . . . . 0.0 110.481 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.4 p -60.31 -40.68 91.44 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.796 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 3.1 mp -52.77 -51.59 60.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.22 0.608 . . . . 0.0 111.289 173.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.51 -46.27 66.93 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.287 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -74.28 -49.64 22.27 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.771 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.51 -47.84 8.03 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.422 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -83.93 54.69 4.97 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 116.243 1.257 . . . . 0.0 116.243 -168.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.51 -25.61 28.7 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.688 0.756 . . . . 0.0 109.432 175.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.62 -55.56 3.87 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.911 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HB3' ' HG2' ' B' ' 24' ' ' LYS . 9.8 pt-20 -179.34 -177.91 0.47 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.939 0.896 . . . . 0.0 110.923 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.4 ' SG ' ' HG ' ' B' ' 32' ' ' LEU . 47.3 t -137.88 124.15 20.53 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 105.41 -2.071 . . . . 0.0 105.41 172.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -93.59 171.79 8.67 Favored 'General case' 0 C--N 1.278 -2.535 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -75.18 -17.64 60.33 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 122.656 0.382 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.2 -34.84 71.23 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.305 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.69 -31.25 57.11 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.645 ' CE2' HD21 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -51.11 -52.78 40.42 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 171.281 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -50.91 71.81 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.13 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.45 -51.45 59.22 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -64.81 -49.6 70.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.579 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.3 p -67.9 -31.6 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-O 120.961 0.41 . . . . 0.0 111.376 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.71 -51.72 38.52 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.061 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -68.83 -40.79 79.28 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.48 HG21 HD11 ' B' ' 40' ' ' LEU . 31.2 m -61.48 -31.48 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.213 0.53 . . . . 0.0 111.41 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.0 m -82.78 -45.78 13.94 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.533 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.1 p -87.35 -18.21 30.62 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -38.77 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.093 1.357 . . . . 0.0 114.411 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 21.0 p 166.06 -44.58 0.0 OUTLIER 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 127.528 2.331 . . . . 0.0 106.08 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.49 -162.6 0.82 Allowed 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 103.625 -2.731 . . . . 0.0 103.625 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -58.14 1.95 Allowed 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 118.834 0.743 . . . . 0.0 111.396 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -115.43 79.3 1.27 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.448 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 43.9 t80 -116.66 -87.57 0.61 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.448 ' HG3' ' CD2' ' B' ' 88' ' ' PHE . 47.7 mt-10 -94.49 69.23 3.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.117 0.961 . . . . 0.0 111.12 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 170.62 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.196 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 -171.234 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 18.5 m . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.957 0.408 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -50.19 63.21 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.13 -33.63 74.83 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.161 0.505 . . . . 0.0 111.6 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 1' ' ' SER . 37.1 tt0 -55.89 -53.7 53.63 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.989 -1.46 . . . . 0.0 109.561 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.94 -34.64 69.19 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.22 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -59.57 4.42 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.749 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -57.32 -41.89 80.81 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.56 -23.81 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.433 0.635 . . . . 0.0 110.494 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.49 -43.93 25.78 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.153 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 -41.69 98.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.87 -29.58 41.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.513 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -77.5 -53.03 8.11 Favored 'General case' 0 C--O 1.247 0.961 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.97 -26.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.442 0.697 . . . . 0.0 111.733 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.08 -46.14 82.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.774 0.83 . . . . 0.0 111.089 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -85.09 -30.9 23.68 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.98 -40.09 79.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.239 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CD1' HD13 ' A' ' 35' ' ' LEU . 83.7 t80 -68.65 -65.34 0.71 Allowed 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m -154.4 88.64 1.23 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -35.82 48.81 Favored Glycine 0 CA--C 1.496 -1.114 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -56.38 -28.06 58.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.779 -0.711 . . . . 0.0 110.585 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -91.33 -66.73 0.9 Allowed 'General case' 0 N--CA 1.413 -2.32 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.86 -43.84 39.61 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.659 1.023 . . . . 0.0 115.659 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.26 -31.28 33.79 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.139 0.495 . . . . 0.0 111.805 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.26 -61.22 1.47 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -99.46 4.46 46.12 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HG2' ' HB3' ' A' ' 67' ' ' GLU 0.264 0.0 OUTLIER 65.87 164.13 0.17 Allowed 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 125.262 1.425 . . . . 0.0 111.011 -170.931 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -78.77 -33.95 46.0 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -169.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 69.65 139.64 0.04 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.088 0.947 . . . . 0.0 110.974 -169.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.02 -19.78 59.91 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.764 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 13.9 m -67.22 -28.69 68.27 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.459 177.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -74.61 -28.52 60.93 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.9 tm? -62.64 -26.0 68.41 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 30' ' ' SER . 3.9 tmmm? -59.55 -50.67 73.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.806 0.812 . . . . 0.0 111.459 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.34 -32.9 74.69 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.966 0.888 . . . . 0.0 110.107 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.577 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 13.6 tp -72.03 -45.74 59.7 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.708 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 2.9 pt -61.19 -36.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 121.078 0.466 . . . . 0.0 110.866 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.6 -30.68 70.85 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.421 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -122.52 -68.54 0.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -176.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.72 -14.71 56.18 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 6.7 mp -94.08 -70.41 0.71 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.529 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 t -91.63 83.67 5.37 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.76 -44.65 66.3 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.274 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.479 ' H ' HD22 ' A' ' 44' ' ' LEU . 50.4 p90 -154.49 20.39 0.47 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.388 0.613 . . . . 0.0 110.348 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 43' ' ' PHE . 2.9 mm? -91.07 20.6 4.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.677 0.751 . . . . 0.0 110.757 -173.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.591 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 34.1 mt-10 -72.09 -3.21 21.79 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.167 -175.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.82 -4.19 50.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.023 -174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -86.13 -86.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.241 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -116.02 -79.62 0.59 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' HG3' ' HA ' ' A' ' 45' ' ' GLU . 4.0 mm-40 57.8 -73.26 0.02 OUTLIER 'General case' 0 C--O 1.184 -2.386 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 170.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -48.06 -42.1 27.72 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -165.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -74.95 -46.64 34.18 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 122.043 0.925 . . . . 0.0 109.798 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 12.0 t -72.94 -33.54 43.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.639 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.616 ' O ' ' HG2' ' A' ' 57' ' ' MET . 77.1 t -63.27 -37.0 78.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 C-N-CA 123.078 0.551 . . . . 0.0 109.731 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.18 -41.64 85.55 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.691 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -67.12 -35.75 80.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.57 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.9 p -68.83 -37.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -63.14 -33.92 76.5 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.18 -62.48 1.36 Allowed 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.204 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -66.3 -49.7 66.16 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.68 -46.12 77.65 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 123.555 0.742 . . . . 0.0 111.177 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.68 -32.27 25.67 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.21 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -71.25 -42.06 69.31 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.31 -59.11 4.77 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.55 -68.51 1.51 Allowed Glycine 0 C--O 1.24 0.504 0 O-C-N 123.672 0.608 . . . . 0.0 113.744 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.07 -62.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.029 2.132 . . . . 0.0 112.558 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.31 -49.39 0.75 Allowed Glycine 0 C--N 1.291 -1.942 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.5 pm0 -116.69 151.46 36.29 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.615 176.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -113.47 119.72 38.55 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.06 160.45 24.51 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.8 -21.73 66.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.546 0.689 . . . . 0.0 110.047 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.05 -42.15 76.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 46.2 mt-10 -75.26 -28.77 59.97 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.297 0.57 . . . . 0.0 110.239 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 2.7 t80 -54.88 -45.59 74.68 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.23 46.81 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.461 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -50.5 -56.64 10.7 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -67.3 -41.51 85.24 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.425 ' HB ' HD23 ' A' ' 40' ' ' LEU . 12.0 p -70.58 -38.57 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.223 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.13 73.95 Favored 'General case' 0 N--CA 1.438 -1.051 0 O-C-N 122.022 -0.424 . . . . 0.0 111.417 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.6 ptt? -81.54 -26.7 34.85 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 118.525 -1.27 . . . . 0.0 112.535 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 31.0 m -75.35 -44.84 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.295 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.8 m -78.63 -51.95 9.15 Favored 'General case' 0 N--CA 1.407 -2.611 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.506 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.8 m -77.37 -73.58 0.29 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 42.58 68.45 0.48 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.24 1.016 . . . . 0.0 111.621 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t 70.25 -32.87 0.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.256 1.422 . . . . 0.0 113.222 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 87' ' ' PHE . 93.1 m-70 -84.64 153.13 23.35 Favored 'General case' 0 C--O 1.208 -1.091 0 O-C-N 121.719 -0.613 . . . . 0.0 111.672 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 4.2 mm-40 75.11 -31.08 0.2 Allowed 'General case' 0 C--O 1.195 -1.792 0 C-N-CA 124.872 1.269 . . . . 0.0 110.846 -166.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.445 ' H ' ' C ' ' A' ' 85' ' ' HIS . 63.2 t80 -82.03 -18.52 42.94 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 171.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -100.39 -49.09 4.35 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.425 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -69.27 -72.53 0.18 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.244 0.618 . . . . 0.0 110.961 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.61 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 28.9 t-80 -60.56 -44.31 96.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.966 0.506 . . . . 0.0 111.579 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.275 16.6 pt-20 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 116.427 -1.749 . . . . 0.0 108.831 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 19.3 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.845 0.355 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -47.54 66.18 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.64 -34.11 77.12 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.26 0.553 . . . . 0.0 111.296 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' B' ' 1' ' ' SER . 38.8 tt0 -55.45 -52.35 63.9 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.479 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -74.06 -34.0 63.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.336 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -57.54 7.72 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.824 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -58.21 -41.69 84.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.2 -24.9 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 121.395 0.617 . . . . 0.0 110.272 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.72 -44.38 33.63 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.33 -40.36 96.11 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.76 -29.45 37.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.762 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 33.3 t70 -77.85 -53.23 7.72 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 p -53.73 -26.87 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.599 0.76 . . . . 0.0 111.895 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -57.23 -45.72 83.65 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.822 0.849 . . . . 0.0 111.191 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -85.8 -30.21 23.18 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 18.4 mm-40 -57.91 -42.19 84.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.63 -62.6 1.42 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 63.3 m -158.81 91.13 1.03 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -34.04 49.39 Favored Glycine 0 CA--C 1.497 -1.046 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.411 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 4.6 ppt_? -54.82 -32.76 60.77 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.662 -0.769 . . . . 0.0 110.268 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HG2' ' HD2' ' B' ' 20' ' ' ARG . 14.6 mm-40 -87.18 -66.71 0.88 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.666 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.71 -43.56 38.0 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 115.521 0.968 . . . . 0.0 115.521 -169.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.52 -29.48 30.42 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -104.82 -66.91 0.94 Allowed 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -93.87 6.22 49.13 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.676 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' B' ' 67' ' ' GLU 0.268 0.0 OUTLIER 64.46 167.21 0.16 Allowed 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.367 1.467 . . . . 0.0 111.364 -171.58 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -79.96 -32.15 39.89 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.9 135.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.946 0.879 . . . . 0.0 111.083 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.25 -22.37 61.24 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.442 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 18.9 m -64.02 -27.58 69.21 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.665 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -81.44 -21.98 38.48 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 121.99 -0.444 . . . . 0.0 110.708 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -65.6 -25.81 67.56 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' B' ' 30' ' ' SER . 3.7 tmmm? -58.48 -50.75 72.59 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 122.064 0.935 . . . . 0.0 111.015 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.1 -38.44 82.95 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.32 175.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.599 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 15.8 tp -70.3 -44.23 68.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.819 -175.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 3.1 pt -62.97 -34.73 67.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 118.021 0.373 . . . . 0.0 111.246 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 -29.82 70.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.475 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -124.84 -70.82 0.73 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.47 -15.85 57.08 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -170.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 6.5 mp -93.42 -70.41 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.942 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -91.81 85.22 5.55 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -69.49 -40.23 77.16 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.394 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.445 ' H ' HD22 ' B' ' 44' ' ' LEU . 42.2 p90 -161.2 23.6 0.13 Allowed 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.445 HD22 ' H ' ' B' ' 43' ' ' PHE . 2.9 mm? -92.77 19.64 7.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.498 0.665 . . . . 0.0 110.954 -173.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' B' ' 49' ' ' GLU . 35.0 mt-10 -70.49 -1.34 10.58 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.015 1.326 . . . . 0.0 112.916 -175.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.2 -16.4 27.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.905 0.482 . . . . 0.0 112.244 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.1 -82.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -121.32 -79.65 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' B' ' 45' ' ' GLU . 2.4 mm-40 57.97 -73.43 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.315 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -49.37 -37.88 26.46 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -165.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -77.51 -47.6 19.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.889 0.852 . . . . 0.0 109.682 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 12.9 t -71.22 -35.35 57.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.716 -173.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.622 ' O ' HG12 ' B' ' 56' ' ' VAL . 76.9 t -63.28 -37.09 78.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 C-N-CA 123.156 0.582 . . . . 0.0 109.866 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -42.35 89.61 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -68.12 -35.22 77.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.703 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 53' ' ' VAL . 2.0 p -68.39 -36.19 73.87 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.674 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.3 mmt -64.99 -28.61 69.63 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 121.267 0.556 . . . . 0.0 110.131 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.88 -62.24 1.66 Allowed 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.713 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.8 p -65.13 -49.58 69.35 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.8 tp -55.92 -46.52 78.42 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 123.43 0.692 . . . . 0.0 111.07 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.39 -32.89 32.61 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.062 -176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -38.55 57.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.961 0.41 . . . . 0.0 110.141 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.16 -55.06 36.71 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.09 -72.69 0.72 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.461 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 67.6 -56.88 0.46 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.154 2.182 . . . . 0.0 112.462 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.67 -45.53 1.1 Allowed Glycine 0 C--N 1.295 -1.74 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.498 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 2.0 pm0 -119.0 152.59 36.12 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.177 -0.511 . . . . 0.0 111.31 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.7 t -114.79 119.29 36.15 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 170.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -83.49 161.55 21.21 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -63.47 -21.74 66.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.995 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 75' ' ' ALA . 97.0 mt-30 -68.31 -42.9 78.75 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.731 172.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 75' ' ' ALA . 45.5 mt-10 -75.16 -28.49 60.12 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 110.404 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.599 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 2.8 t80 -55.05 -45.97 75.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.565 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -47.14 55.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.5 175.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' B' ' 72' ' ' GLU . . . -51.12 -57.84 7.67 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -175.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.79 -39.39 87.75 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.445 ' HB ' HD23 ' B' ' 40' ' ' LEU . 12.3 p -71.65 -39.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.54 77.41 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 122.254 -0.279 . . . . 0.0 111.387 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptt? -79.6 -28.12 41.03 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.628 -179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.526 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 27.5 m -74.49 -43.78 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.703 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.391 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -80.55 -50.14 10.4 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.677 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.5 m -78.82 -73.87 0.31 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 41.69 69.05 0.39 Allowed 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.182 0.993 . . . . 0.0 111.826 -175.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.5 t 71.45 -34.27 0.29 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.336 1.454 . . . . 0.0 113.2 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.448 ' C ' ' H ' ' B' ' 87' ' ' PHE . 93.7 m-70 -85.57 151.89 23.57 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 121.652 -0.655 . . . . 0.0 111.515 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 11.7 mm-40 75.91 -30.08 0.19 Allowed 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 124.795 1.238 . . . . 0.0 110.625 -166.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' B' ' 85' ' ' HIS . 56.0 t80 -84.52 -15.85 44.41 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 171.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -101.41 -55.92 2.42 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.325 -1.307 . . . . 0.0 108.422 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -63.75 -75.08 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.446 0.698 . . . . 0.0 111.448 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.592 ' HB3' ' O ' ' B' ' 86' ' ' GLU . 26.9 t-80 -56.42 -47.96 77.98 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.295 0.372 . . . . 0.0 110.969 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . 0.288 12.8 pt-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.311 -1.804 . . . . 0.0 109.108 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.241 0.658 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.44 -49.11 65.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.768 0.827 . . . . 0.0 110.161 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD12 HG21 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.38 -40.76 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -176.533 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 8' ' ' VAL . 30.9 tt0 -54.57 -56.26 20.75 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.834 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.13 -44.12 74.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.845 0.858 . . . . 0.0 110.832 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.76 96.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.024 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.97 -47.2 84.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.204 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 4' ' ' GLU . 87.1 t -60.24 -44.59 95.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.458 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.26 86.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.11 -42.52 93.87 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.493 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 40.4 pt -74.28 -31.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.54 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.07 -28.78 27.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.486 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.51 -35.02 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 121.14 0.495 . . . . 0.0 110.491 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 27' ' ' LEU . 85.8 t80 -65.34 -45.98 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.826 0.822 . . . . 0.0 108.858 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.45 -49.52 77.24 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.556 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -58.22 -27.87 64.33 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.729 0.812 . . . . 0.0 112.911 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.42 -49.28 69.79 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 t -149.04 92.04 1.92 Allowed 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.133 0.492 . . . . 0.0 111.017 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.99 59.56 4.93 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-O 121.63 0.572 . . . . 0.0 112.762 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -45.35 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -77.56 -49.5 14.54 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -59.26 -59.82 9.98 Favored Glycine 0 CA--C 1.483 -1.951 0 O-C-N 124.617 1.198 . . . . 0.0 111.38 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.62 -59.11 1.73 Allowed 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.741 0.907 . . . . 0.0 112.967 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.38 -52.97 7.05 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -130.18 17.59 5.52 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.6 mmpt? 67.25 -167.65 0.2 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.578 0.751 . . . . 0.0 110.972 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 52.9 mt -146.98 153.1 39.67 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -80.94 154.26 27.08 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.653 0.596 . . . . 0.0 110.205 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.15 -18.25 64.26 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.834 174.691 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.698 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.8 m -53.65 -38.54 64.21 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.35 -19.96 48.97 Favored 'General case' 0 C--O 1.259 1.604 0 CA-C-O 122.14 0.971 . . . . 0.0 110.943 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 20.6 tp -61.71 -19.25 62.18 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.85 174.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.698 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -51.19 -34.36 31.42 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.823 0.849 . . . . 0.0 112.741 176.02 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 17.8 mt-10 -82.52 -38.7 23.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.473 0.654 . . . . 0.0 110.047 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 32' ' ' LEU . 21.6 tp -68.52 -34.59 76.15 Favored 'General case' 0 CA--C 1.558 1.287 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.836 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.592 HG22 HD22 ' A' ' 40' ' ' LEU . 11.2 pt -67.66 -43.64 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 O-C-N 121.951 -0.468 . . . . 0.0 111.499 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.88 -30.93 62.31 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.227 0.611 . . . . 0.0 111.338 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -92.35 -60.73 1.76 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 68.1 mm-40 -87.78 -62.11 1.57 Allowed 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.592 HD22 HG22 ' A' ' 36' ' ' ILE . 4.9 mp -70.37 -20.52 62.96 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.7 m -129.43 96.43 4.28 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.769 -0.582 . . . . 0.0 110.2 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.477 ' O ' HD22 ' A' ' 44' ' ' LEU . 56.9 p-80 -140.7 102.33 4.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.809 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 70.68 7.2 6.13 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 124.265 1.026 . . . . 0.0 112.751 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 42' ' ' HIS . 2.9 mm? -84.63 72.84 10.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.13 -20.14 4.2 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.776 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' HG13 ' A' ' 47' ' ' ILE . 11.2 pt-20 -92.03 1.25 57.31 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.892 -169.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.45 HG13 ' HG3' ' A' ' 46' ' ' GLU . 40.1 mt -112.82 -87.14 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.837 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -150.67 8.83 0.59 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.235 0.54 . . . . 0.0 110.829 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 mp0 -76.59 -23.25 53.48 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.8 -30.44 63.69 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.353 0.524 . . . . 0.0 111.109 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.8 mm-40 -73.05 -49.52 28.22 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.05 -28.11 35.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.257 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 57' ' ' MET . 70.6 t -64.09 -36.01 75.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 25.8 t70 -70.95 -41.39 71.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.166 0.507 . . . . 0.0 110.153 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 26.4 mmmt -66.05 -34.97 79.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.002 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.694 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.5 p -68.53 -33.65 61.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -67.7 -39.12 84.4 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 45.4 mt-10 -66.58 -51.24 58.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.062 0.458 . . . . 0.0 110.395 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.4 p -65.31 -41.75 93.72 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 7.7 tp -51.95 -49.39 63.27 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.933 0.893 . . . . 0.0 110.281 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.57 -51.87 51.73 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.338 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -70.86 -39.33 72.96 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.42 -10.1 45.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.95 0.881 . . . . 0.0 110.543 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.17 62.12 0.02 OUTLIER Glycine 0 N--CA 1.473 1.113 0 CA-C-N 114.414 -1.266 . . . . 0.0 115.282 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.51 -41.32 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 123.901 0.88 . . . . 0.0 109.464 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.29 41.43 3.06 Favored Glycine 0 CA--C 1.495 -1.167 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.473 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 59.13 -162.44 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.243 1.417 . . . . 0.0 110.325 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -138.88 117.72 12.36 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.13 164.67 12.77 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 11' ' ' ILE . 27.6 m-85 -63.63 -31.17 72.25 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.629 0.772 . . . . 0.0 109.57 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.0 -33.55 76.33 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.098 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.14 -29.45 48.78 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.517 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 7.2 m-85 -52.08 -54.52 29.33 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 123.479 0.487 . . . . 0.0 110.041 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -59.53 -41.89 91.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.983 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.59 -52.64 63.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.428 0.632 . . . . 0.0 111.424 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -64.23 -43.56 94.56 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.462 HG21 HD12 ' B' ' 3' ' ' LEU . 14.9 p -71.53 -38.87 69.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.59 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -68.66 -30.59 69.31 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.029 -0.669 . . . . 0.0 111.405 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -78.11 -29.61 49.02 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.614 -1.634 . . . . 0.0 111.624 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.34 -52.57 12.48 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.917 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 m -84.8 -39.08 18.8 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.59 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 19.2 m -86.71 -53.83 4.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -23.59 12.99 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.2 p -72.55 -65.79 0.74 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HB2' HG21 ' A' ' 47' ' ' ILE . 56.1 t60 -126.83 -1.77 6.62 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.753 -0.592 . . . . 0.0 112.428 -176.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' THR . 61.4 mm-40 -97.23 -38.97 9.48 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.83 146.31 24.54 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 65.26 33.14 9.43 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.907 0.883 . . . . 0.0 109.733 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -165.8 -74.58 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.525 -176.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -76.11 -39.47 55.12 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 106.727 -1.582 . . . . 0.0 106.727 173.678 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.08 -49.98 63.24 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.635 0.774 . . . . 0.0 109.694 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.83 -40.91 95.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.483 -176.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 8' ' ' VAL . 34.0 tt0 -54.47 -57.7 10.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.781 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' B' ' 5' ' ' LYS . 36.4 ttpt -53.22 -44.08 67.75 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.202 1.001 . . . . 0.0 110.99 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.48 92.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -62.51 -47.17 85.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.027 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 4' ' ' GLU . 96.8 t -59.34 -45.7 93.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.97 83.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.1 -42.77 93.7 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.445 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 41.6 pt -74.24 -33.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.666 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 17.5 t70 -83.97 -26.85 28.89 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.413 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.34 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-O 121.235 0.54 . . . . 0.0 110.215 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' B' ' 27' ' ' LEU . 87.2 t80 -63.24 -46.51 86.58 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 122.101 0.953 . . . . 0.0 108.639 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 71.8 t60 -59.53 -49.1 79.1 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.898 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -59.55 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.693 0.797 . . . . 0.0 112.699 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.79 -51.39 68.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.1 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.4 t -146.14 96.95 2.87 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.269 0.557 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.04 60.18 4.14 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.282 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.92 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.5 -48.49 32.92 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.429 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -59.91 -58.86 11.98 Favored Glycine 0 CA--C 1.488 -1.645 0 O-C-N 124.659 1.224 . . . . 0.0 111.182 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -44.98 -54.85 6.08 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.592 0.71 . . . . 0.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -81.25 -63.03 1.49 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -126.17 26.54 6.46 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -169.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 9.4 mmpt? 62.7 -166.15 0.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.865 0.728 . . . . 0.0 111.991 175.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 61.2 mt -147.99 152.47 37.52 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 123.918 0.887 . . . . 0.0 108.642 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 13.5 mptt -81.61 154.7 26.02 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.69 0.619 . . . . 0.0 109.73 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.555 ' HZ1' ' CD ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -63.42 -18.05 63.31 Favored 'General case' 0 C--O 1.206 -1.229 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.573 173.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.722 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 2.4 m -52.44 -39.32 60.9 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 123.03 0.532 . . . . 0.0 109.854 172.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.47 -19.56 45.72 Favored 'General case' 0 C--O 1.258 1.548 0 CA-C-O 122.053 0.93 . . . . 0.0 110.768 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 22.5 tp -61.95 -19.2 62.5 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.716 174.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.722 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -51.52 -34.76 37.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.921 0.889 . . . . 0.0 112.368 176.15 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.547 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 11.9 mt-10 -84.02 -35.72 23.66 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.384 0.611 . . . . 0.0 110.724 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.64 -33.44 70.98 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.656 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.582 HG22 HD22 ' B' ' 40' ' ' LEU . 10.9 pt -69.11 -41.92 81.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 121.86 -0.525 . . . . 0.0 110.874 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.23 -32.01 64.07 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 123.939 0.775 . . . . 0.0 111.37 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -91.86 -59.47 2.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -87.25 -63.0 1.37 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -171.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.582 HD22 HG22 ' B' ' 36' ' ' ILE . 5.0 mp -70.06 -19.36 63.29 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -170.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -130.38 99.19 4.92 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.334 0.587 . . . . 0.0 110.083 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.511 ' O ' HD22 ' B' ' 44' ' ' LEU . 52.4 p-80 -142.53 102.32 4.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.791 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 71.58 3.91 4.85 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 124.011 0.925 . . . . 0.0 112.842 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.511 HD22 ' O ' ' B' ' 42' ' ' HIS . 2.6 mm? -82.66 76.31 9.52 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -130.38 -16.35 3.5 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.865 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -95.57 -4.74 44.08 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.479 HD12 ' OE2' ' B' ' 49' ' ' GLU . 34.6 mt -106.99 -86.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.231 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.69 -175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -150.52 7.09 0.57 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.168 0.509 . . . . 0.0 110.779 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.479 ' OE2' HD12 ' B' ' 47' ' ' ILE . 20.4 mp0 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -56.51 -31.64 64.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.126 0.489 . . . . 0.0 111.359 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 17.1 mm-40 -71.62 -50.9 26.45 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -68.14 -28.1 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.307 -174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.2 t -64.61 -35.05 73.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.244 0.545 . . . . 0.0 109.773 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 51' ' ' GLU . 25.5 mmmt -64.12 -35.9 82.27 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.954 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.718 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.7 p -68.59 -32.0 53.38 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.4 mmt -69.99 -41.97 73.7 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.48 -49.98 74.6 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.107 0.479 . . . . 0.0 110.553 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.1 p -68.61 -42.45 78.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.569 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.718 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 8.3 tp -51.33 -50.16 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.891 0.877 . . . . 0.0 110.36 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.95 -46.04 72.54 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.37 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.39 -43.81 59.81 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.93 -6.72 57.08 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 122.358 1.075 . . . . 0.0 110.566 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.26 59.57 0.04 OUTLIER Glycine 0 C--N 1.3 -1.417 0 CA-C-N 114.371 -1.286 . . . . 0.0 115.071 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.88 -41.18 0.4 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 123.583 0.753 . . . . 0.0 109.715 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.38 45.42 3.13 Favored Glycine 0 CA--C 1.488 -1.634 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.848 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 43.5 mm-40 57.41 -160.13 0.24 Allowed 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 125.699 1.6 . . . . 0.0 110.695 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.501 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 46.3 t -140.87 115.84 9.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 172.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -92.61 165.74 12.84 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 29.1 m-85 -67.91 -28.89 67.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.63 -32.44 73.92 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.749 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.555 ' CD ' ' HZ1' ' B' ' 29' ' ' LYS . 44.7 mt-10 -78.99 -31.98 45.05 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.505 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 6.8 m-85 -50.7 -54.65 21.45 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.58 0.55 . . . . 0.0 109.958 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.44 -41.6 89.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.099 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.54 67.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.392 0.615 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.23 -45.44 88.18 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.537 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.459 HG21 HD12 ' A' ' 3' ' ' LEU . 15.0 p -69.85 -38.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.63 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.95 -29.25 67.45 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.47 -176.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.42 -29.81 42.06 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.336 -1.746 . . . . 0.0 111.737 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.3 m -84.21 -52.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.977 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -84.5 -39.37 18.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.354 0.597 . . . . 0.0 112.364 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 17.0 m -88.12 -52.11 5.42 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.77 -6.16 3.43 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.23 -58.85 2.59 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.348 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' B' ' 89' ' ' GLU . 70.7 t60 -131.99 -9.25 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 82' ' ' THR . 14.4 mm-40 -92.12 -37.66 12.62 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.328 -0.857 . . . . 0.0 110.442 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -89.12 145.49 25.42 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 176.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 65.4 32.22 9.8 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.772 0.67 . . . . 0.0 110.578 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 8.6 tp10 -164.29 -75.38 0.04 OUTLIER 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.628 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -70.02 -45.87 66.29 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 N--CA 1.409 -2.523 0 CA-C-N 114.355 -1.293 . . . . 0.0 108.01 174.393 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.316 0.579 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HG3' ' HB1' ' B' ' 9' ' ' ALA . 8.5 tp10 -61.38 -40.56 94.76 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.532 0.682 . . . . 0.0 110.418 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.2 -22.56 61.25 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.0 -44.42 89.32 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.87 -38.0 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.404 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.29 -47.01 71.9 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.953 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -63.58 -40.83 97.97 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 109.774 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.34 -35.0 63.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.875 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -45.01 91.86 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.182 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.9 mp -61.83 -51.79 66.8 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 121.415 0.626 . . . . 0.0 110.307 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 pt -72.45 -37.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.8 t70 -69.03 -41.04 78.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.328 -0.233 . . . . 0.0 111.172 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.83 -35.92 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' HZ ' ' HG ' ' A' ' 68' ' ' CYS . 2.8 m-30 -63.31 -38.14 90.0 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -68.83 -42.02 77.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.8 mm-40 -53.46 -41.78 66.5 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.899 0.479 . . . . 0.0 111.824 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.33 62.68 2.39 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.6 m 60.38 14.47 4.74 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.333 1.053 . . . . 0.0 113.032 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.617 ' HA2' ' HB3' ' A' ' 23' ' ' ASP . . . -83.34 62.47 4.62 Favored Glycine 0 CA--C 1.495 -1.209 0 CA-C-O 121.584 0.547 . . . . 0.0 113.85 -174.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 -34.06 0.88 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.755 -0.722 . . . . 0.0 109.937 173.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.15 -42.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.871 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.31 -45.15 75.5 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 175.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.617 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 21.6 t70 -93.82 152.25 19.04 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.47 15.79 0.56 Allowed 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 125.481 1.512 . . . . 0.0 111.375 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HE3' ' A' ' 26' ' ' LYS . 22.1 m80 59.84 29.11 18.69 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.963 0.887 . . . . 0.0 109.133 -170.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 7.7 mmpt? -149.85 106.45 3.52 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 101.945 -3.354 . . . . 0.0 101.945 -177.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 tm? -75.79 -35.4 60.1 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -159.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 74.77 136.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.762 0.791 . . . . 0.0 110.831 -175.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 8.2 mtmp? -63.75 -22.73 67.06 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.481 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.673 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.9 m -55.99 -47.46 77.68 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.294 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.79 -18.17 38.62 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 121.585 0.707 . . . . 0.0 111.252 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 32' ' ' LEU . 2.9 tm? -61.03 -20.29 62.37 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.26 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.673 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.29 -38.39 65.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.796 0.838 . . . . 0.0 112.333 174.283 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.629 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 25.2 mt-10 -74.03 -35.24 64.32 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.36 -53.66 53.81 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.757 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 40' ' ' LEU . 8.5 pt -64.14 -38.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.9 -44.73 39.03 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.208 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -101.3 -64.07 1.08 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -78.98 -5.88 54.93 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 77' ' ' VAL . 4.8 tt -90.33 -44.5 9.64 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.2 m -137.6 136.18 37.31 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -76.49 -67.73 0.66 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 166.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -127.43 21.49 6.61 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.74 87.65 6.32 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 50' ' ' GLN . 36.5 mt-10 -144.04 17.11 1.75 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 18.09 2.46 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.02 -60.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -150.33 -31.19 0.2 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.837 0.855 . . . . 0.0 111.495 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.73 -25.72 68.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 C-N-CA 124.797 1.239 . . . . 0.0 110.753 -178.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 28.2 pt20 -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.433 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.46 -48.38 11.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.674 0.749 . . . . 0.0 109.61 173.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG12 HG23 ' A' ' 56' ' ' VAL . 39.1 t -66.48 -37.86 80.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -171.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 57' ' ' MET . 58.9 t -55.32 -40.98 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.99 -42.46 94.51 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.172 0.511 . . . . 0.0 110.521 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -69.42 -32.64 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.6 0.714 . . . . 0.0 110.031 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.572 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 t -62.5 -39.05 82.99 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 C-N-CA 124.539 1.136 . . . . 0.0 110.557 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.3 mmt -66.41 -24.53 66.48 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.34 -60.84 2.21 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.519 0.676 . . . . 0.0 109.382 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 56' ' ' VAL . 6.6 p -56.52 -33.34 65.95 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.772 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.3 tp -49.41 -33.43 13.89 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.817 1.247 . . . . 0.0 110.921 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -114.34 -40.98 3.54 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.088 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.24 -28.18 69.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.57 -69.0 0.35 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.889 0.376 . . . . 0.0 110.637 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.46 ' H ' ' HE2' ' A' ' 29' ' ' LYS . . . 59.18 37.13 91.32 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.089 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.41 -37.53 81.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 117.251 0.526 . . . . 0.0 111.038 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.49 87.42 0.06 OUTLIER Glycine 0 N--CA 1.411 -2.988 0 C-N-CA 118.944 -1.598 . . . . 0.0 114.309 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 65.76 -149.17 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.606 ' HG ' ' HZ ' ' A' ' 14' ' ' PHE . 49.8 t -151.9 123.96 8.12 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.737 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 4.1 m-20 -126.87 -161.95 1.11 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -64.19 -22.64 67.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -72.77 -50.85 21.76 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.199 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 22.9 mp0 -63.88 -39.16 93.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -53.26 -62.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.125 178.538 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -40.34 89.79 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.876 0.735 . . . . 0.0 111.116 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -57.26 -55.16 38.38 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 123.466 0.479 . . . . 0.0 111.879 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -64.38 -48.98 73.42 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.3 p -66.14 -34.5 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.68 -51.07 12.2 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 119.384 -0.927 . . . . 0.0 111.315 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.4 ptt? -65.88 -23.96 66.76 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.34 -51.85 30.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.86 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -78.97 -27.17 43.44 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.4 p -98.5 -86.15 0.36 Allowed 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.096 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.05 6.84 1.03 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.604 1.561 . . . . 0.0 113.113 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.8 t -161.11 151.59 17.93 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -76.07 32.36 0.12 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.647 0.779 . . . . 0.0 111.694 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -86.17 -39.96 16.12 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 123.633 0.773 . . . . 0.0 110.418 -174.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -60.7 20.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 128.207 2.603 . . . . 0.0 117.928 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . 0.25 96.6 m-85 -82.04 61.27 5.25 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 120.571 1.532 . . . . 0.0 114.517 -175.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 165.97 -59.32 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 127.623 2.369 . . . . 0.0 107.722 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -151.1 -33.29 0.15 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.797 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.412 -2.373 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -172.924 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.439 -1.002 0 CA-C-O 121.658 0.742 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -64.78 -33.82 76.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.003 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.28 -25.02 54.48 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.36 -49.84 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.97 -39.13 93.45 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.246 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.499 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -67.8 -44.61 76.94 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.915 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -64.97 -41.06 95.77 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.86 -35.53 61.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.473 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' HG3' ' A' ' 2' ' ' GLU . . . -59.9 -45.19 93.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.339 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.9 mp -62.21 -49.28 76.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.499 0.666 . . . . 0.0 110.323 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.37 -35.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -173.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 25.1 t70 -71.14 -41.48 70.42 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 122.184 -0.323 . . . . 0.0 110.973 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.95 -37.68 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.725 ' HZ ' ' HG ' ' B' ' 68' ' ' CYS . 2.3 m-30 -62.79 -37.65 87.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.188 0.518 . . . . 0.0 111.127 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' B' ' 20' ' ' ARG . 27.2 t60 -68.33 -42.38 79.43 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.79 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 77.1 mm-40 -55.47 -37.88 68.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -77.98 53.62 1.2 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m 67.39 13.71 9.43 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.617 1.167 . . . . 0.0 112.384 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.628 ' HA2' ' HB3' ' B' ' 23' ' ' ASP . . . -81.61 59.86 4.79 Favored Glycine 0 CA--C 1.499 -0.952 0 CA-C-O 121.608 0.56 . . . . 0.0 114.01 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.479 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -135.61 -31.22 0.96 Allowed 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.728 -0.736 . . . . 0.0 110.226 174.203 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -45.09 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 111.18 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.99 70.2 Favored Glycine 0 CA--C 1.491 -1.435 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.491 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.628 ' HB3' ' HA2' ' B' ' 19' ' ' GLY . 19.3 t70 -95.2 154.83 17.0 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -77.37 15.7 0.72 Allowed 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 124.78 1.232 . . . . 0.0 111.423 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.43 ' O ' ' HE3' ' B' ' 26' ' ' LYS . 25.2 m80 59.88 28.11 17.55 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.756 0.789 . . . . 0.0 109.486 -169.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 7.8 mmpt? -150.47 108.7 3.76 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 -178.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' B' ' 14' ' ' PHE . 2.3 tm? -78.29 -34.77 48.66 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -158.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.2 OUTLIER 75.19 136.73 0.06 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.687 -175.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.484 ' HB2' ' NZ ' ' B' ' 29' ' ' LYS . 8.3 mtmp? -64.78 -21.64 66.82 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.549 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.696 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 3.8 m -55.67 -49.08 73.9 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.742 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -81.82 -18.24 44.67 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 111.441 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.451 ' O ' HD13 ' B' ' 32' ' ' LEU . 2.8 tm? -60.9 -20.32 61.84 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.696 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.3 -37.28 64.62 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.985 0.914 . . . . 0.0 112.343 174.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.677 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 26.1 mt-10 -76.5 -34.86 58.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 177.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.09 -52.14 66.16 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.41 HG22 HD12 ' B' ' 40' ' ' LEU . 7.4 pt -64.36 -38.47 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.98 -41.31 36.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -100.5 -67.02 0.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -79.37 -5.71 55.18 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' B' ' 77' ' ' VAL . 4.8 tt -89.19 -42.49 11.62 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.1 m -142.72 137.45 29.84 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -80.75 -61.36 1.99 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -129.73 18.2 5.71 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.0 87.81 5.98 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -143.88 13.73 1.69 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -140.71 22.43 2.31 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -169.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.76 -63.93 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -147.62 -29.84 0.33 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.402 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -64.98 -23.94 67.37 Favored 'General case' 0 N--CA 1.421 -1.892 0 C-N-CA 124.776 1.23 . . . . 0.0 110.881 -178.071 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -56.38 -32.01 64.38 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.887 0.375 . . . . 0.0 111.687 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.46 -50.56 8.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.934 0.873 . . . . 0.0 109.689 172.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.445 HG12 HG23 ' B' ' 56' ' ' VAL . 24.2 t -64.78 -39.63 86.31 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 57' ' ' MET . 70.0 t -54.82 -40.06 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.798 0.439 . . . . 0.0 112.147 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.58 -43.06 90.93 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.071 0.462 . . . . 0.0 110.722 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.484 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 26.2 mtpp -70.53 -31.11 68.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.838 0.828 . . . . 0.0 109.662 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.609 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.87 -39.48 85.18 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.692 0 C-N-CA 124.424 1.09 . . . . 0.0 110.705 173.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.58 -25.11 67.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 39.0 mt-10 -79.69 -61.22 2.06 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' VAL . 7.0 p -56.08 -33.66 65.26 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.061 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.609 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.6 tp -48.9 -34.89 13.62 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.052 1.341 . . . . 0.0 110.849 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -111.62 -42.37 3.86 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.248 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.31 -30.99 70.84 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.49 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.138 0.495 . . . . 0.0 110.508 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.471 ' H ' ' HE2' ' B' ' 29' ' ' LYS . . . 61.66 30.97 76.25 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.21 -35.08 69.21 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.221 0.51 . . . . 0.0 112.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.64 87.47 0.06 OUTLIER Glycine 0 N--CA 1.414 -2.796 0 C-N-CA 118.974 -1.584 . . . . 0.0 114.226 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.12 -141.82 0.58 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.725 ' HG ' ' HZ ' ' B' ' 14' ' ' PHE . 41.1 t -153.3 123.64 7.09 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.64 176.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 4.2 m-20 -125.82 -163.75 1.24 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.95 1.406 . . . . 0.0 107.267 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.24 -23.55 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.82 -53.22 19.2 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.158 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.5 mp0 -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.59 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -52.78 -61.89 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.085 179.25 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.78 89.56 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -57.33 -56.6 19.75 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.545 0.528 . . . . 0.0 111.649 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -63.65 -47.99 79.05 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.59 HG12 ' O ' ' B' ' 73' ' ' PHE . 8.2 p -66.89 -34.35 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.97 -51.26 11.45 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.506 -0.877 . . . . 0.0 111.172 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.5 ptt? -65.67 -24.41 67.0 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.8 m -71.55 -50.59 38.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.936 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 69.9 m -79.87 -28.01 40.01 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -97.2 -85.27 0.36 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.9 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 57.56 14.44 2.32 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.505 1.522 . . . . 0.0 113.068 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -168.31 153.68 6.69 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -76.06 30.6 0.11 Allowed 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 123.888 0.875 . . . . 0.0 111.811 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -85.32 -38.87 18.31 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 123.199 0.599 . . . . 0.0 110.643 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -61.53 21.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 -168.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . 0.275 97.3 m-85 -83.53 60.67 5.8 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 120.764 1.62 . . . . 0.0 114.33 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 167.11 -62.0 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 128.144 2.578 . . . . 0.0 107.417 174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -150.59 -28.46 0.22 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.712 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 N--CA 1.409 -2.502 0 N-CA-C 100.411 -3.922 . . . . 0.0 100.411 -173.803 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 73.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -80.71 -33.77 35.04 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.04 -39.34 90.07 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.5 ' HG2' ' ND1' ' B' ' 42' ' ' HIS . 1.4 tm-20 -56.44 -55.68 30.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.295 1.438 . . . . 0.0 108.494 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.09 -41.67 79.33 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.327 0.651 . . . . 0.0 111.955 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -59.09 -48.52 81.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.796 0.685 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.584 ' SD ' HG22 ' B' ' 77' ' ' VAL . 33.2 ttp -59.5 -46.6 88.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.773 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 4' ' ' GLU . 59.5 t -58.77 -45.58 91.19 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.904 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.882 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -61.21 -36.26 79.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.863 0.363 . . . . 0.0 111.476 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 13' ' ' VAL . 94.1 mt -72.52 -43.16 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.046 0.451 . . . . 0.0 111.599 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.61 -32.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.178 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 30.3 t70 -72.53 -23.82 61.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.334 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 10' ' ' LEU . 6.2 p -69.78 -33.46 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.677 176.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -68.61 -40.04 80.56 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.5 ' HB2' ' OXT' ' B' ' 91' ' ' GLU . 13.7 t60 -55.26 -55.37 32.12 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.727 0.811 . . . . 0.0 110.458 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.1 mt-30 -57.24 -56.95 15.15 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.947 0.899 . . . . 0.0 112.303 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -93.54 16.23 14.16 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -49.86 108.8 0.23 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -88.42 88.36 1.54 Allowed Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 176.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -52.82 -34.8 55.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -171.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' NE ' ' A' ' 20' ' ' ARG . 57.1 mm-40 -110.33 -67.98 0.96 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.25 -31.09 68.69 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 114.704 0.642 . . . . 0.0 114.704 -174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 4.3 m-20 -98.21 9.98 41.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 117.002 0.401 . . . . 0.0 111.892 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 65.79 25.12 11.37 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 121.953 0.882 . . . . 0.0 109.782 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 14.5 t-80 81.85 -9.4 1.23 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.348 1.859 . . . . 0.0 112.021 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -101.82 -139.13 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.55 127.77 30.06 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 172.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 10.7 ptmt -77.25 155.93 31.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-O 121.656 0.741 . . . . 0.0 111.296 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 26.3 ttpt -63.23 -30.33 71.5 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.594 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -67.27 -31.02 71.06 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.91 0.386 . . . . 0.0 110.023 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 28' ' ' LYS . 12.4 mm-40 -81.48 -18.92 43.48 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.081 -0.387 . . . . 0.0 110.115 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.78 -29.47 69.45 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB2' HD23 ' A' ' 60' ' ' LEU . 2.8 tmmm? -55.92 -55.46 32.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.771 0.796 . . . . 0.0 110.16 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.55 -34.33 77.66 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.3 -52.64 64.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.625 HG22 HD12 ' A' ' 40' ' ' LEU . 20.6 pt -65.94 -39.96 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.28 -36.36 63.57 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -110.01 -55.14 2.49 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.2 -18.17 59.19 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.43 0.692 . . . . 0.0 112.183 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.625 HD12 HG22 ' A' ' 36' ' ' ILE . 3.5 tt -100.83 -55.07 2.66 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -40.32 124.86 2.0 Allowed 'General case' 0 C--O 1.241 0.627 0 C-N-CA 125.533 1.533 . . . . 0.0 114.294 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' ND1' ' HG2' ' B' ' 4' ' ' GLU . 50.0 p-80 -171.9 118.39 0.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.462 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 43.85 73.71 0.14 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.943 1.297 . . . . 0.0 113.175 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.46 -176.09 2.89 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.469 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 72.36 19.1 4.42 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.857 1.663 . . . . 0.0 111.834 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -129.38 -15.42 4.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 81' ' ' THR . 56.4 mt -96.35 -84.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.535 -171.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.6 69.8 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -28.21 1.84 Allowed 'General case' 0 C--N 1.27 -2.873 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.152 -170.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -53.91 -36.33 62.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.7 -46.97 28.19 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.41 0.624 . . . . 0.0 109.453 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.75 -47.59 90.31 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.232 -173.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 57' ' ' MET . 87.4 t -56.28 -45.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 123.557 0.536 . . . . 0.0 111.245 -176.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.65 -44.53 90.12 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -64.34 -37.47 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.465 . . . . 0.0 110.139 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.49 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.5 t -57.49 -53.28 46.28 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 124.516 1.126 . . . . 0.0 110.108 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.5 mmt -59.73 -37.37 78.73 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 123.317 0.386 . . . . 0.0 111.458 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.28 -61.52 2.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.966 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -61.98 -43.49 98.74 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.313 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.0 tp -52.37 -46.48 66.2 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 124.025 0.93 . . . . 0.0 111.483 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -88.32 -33.62 17.94 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.06 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -71.53 -31.0 66.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.55 -48.88 77.54 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.12 43.03 97.79 Favored Glycine 0 C--O 1.249 1.073 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -87.44 155.04 20.19 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 117.111 0.455 . . . . 0.0 110.821 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.73 -14.41 78.07 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.759 -0.655 . . . . 0.0 114.247 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 12.4 pt-20 -143.28 177.39 8.45 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.41 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 11.7 t -142.33 134.06 26.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 173.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -98.88 166.01 11.5 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.692 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -57.96 -32.18 67.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.186 0.517 . . . . 0.0 110.631 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -66.1 -38.56 88.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.764 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 45.4 mt-10 -69.25 -40.09 78.06 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.279 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.6 ' O ' HG12 ' A' ' 77' ' ' VAL . 5.2 m-85 -53.2 -53.19 54.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.5 0.5 . . . . 0.0 110.605 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.46 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -54.71 -48.9 71.92 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.004 0.815 . . . . 0.0 111.593 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -59.69 -53.48 57.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.685 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 79.8 m-85 -62.96 -46.46 87.61 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -66.49 -46.71 85.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -73.86 -28.64 61.68 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.239 -0.985 . . . . 0.0 111.741 -175.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.1 ptt? -77.77 -23.59 49.18 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.011 -1.476 . . . . 0.0 111.853 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.3 -52.76 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.044 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 47' ' ' ILE . 22.9 m -86.04 -41.76 14.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 50.6 m -86.8 -39.76 15.6 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.682 -0.636 . . . . 0.0 112.43 -172.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.96 71.9 2.09 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.2 t -84.68 -47.6 10.31 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 103.751 -2.685 . . . . 0.0 103.751 168.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -150.25 167.3 27.35 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -77.5 88.01 3.84 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 119.05 0.841 . . . . 0.0 112.87 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 59.39 70.89 0.61 Allowed 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 113.976 -1.465 . . . . 0.0 112.456 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.45 -60.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.366 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -73.9 -3.64 30.18 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -139.25 -49.39 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 122.067 -0.395 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.498 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 47.4 mt-10 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 -164.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 16.9 m . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 120.942 0.401 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.91 -38.78 44.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.32 -37.92 89.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.464 ' HG2' ' ND1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -58.01 -53.98 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 108.891 177.398 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -59.39 -41.11 88.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.287 0.635 . . . . 0.0 111.389 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 10' ' ' LEU . . . -58.9 -48.21 82.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.593 ' SD ' HG22 ' A' ' 77' ' ' VAL . 34.0 ttp -59.62 -46.62 88.45 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.866 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.59 -48.62 86.7 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.921 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.234 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -58.5 -34.07 70.53 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.773 0.321 . . . . 0.0 111.555 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.615 ' O ' HG12 ' B' ' 13' ' ' VAL . 92.9 mt -74.24 -45.13 49.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.948 0.404 . . . . 0.0 111.745 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 pt -74.84 -31.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.488 0.661 . . . . 0.0 110.967 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 33.8 t70 -73.01 -23.76 60.66 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.362 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.615 HG12 ' O ' ' B' ' 10' ' ' LEU . 9.7 p -70.94 -32.74 49.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.649 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.75 -35.52 77.21 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 15.3 t60 -59.68 -54.66 43.79 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.699 0.8 . . . . 0.0 110.998 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 79.3 mt-30 -60.93 -48.67 80.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.526 -178.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.36 27.47 6.21 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.831 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.4 p -60.98 105.15 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.27 89.66 1.39 Allowed Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -35.91 63.08 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 115.302 1.594 . . . . 0.0 115.302 -169.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -114.94 -52.08 2.71 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.11 -27.64 69.84 Favored Glycine 0 N--CA 1.461 0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.915 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.438 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 7.5 m-20 -101.13 9.47 41.97 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 122.841 -0.211 . . . . 0.0 110.674 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.7 tttt 64.03 26.44 14.05 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.111 0.958 . . . . 0.0 109.647 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 80.21 -6.86 1.69 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.85 2.06 . . . . 0.0 111.905 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -103.6 -138.65 0.35 Allowed 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -136.16 126.4 26.44 Favored 'General case' 0 CA--C 1.478 -1.823 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 172.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 10.9 ptmt -75.19 158.88 32.29 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.553 0.692 . . . . 0.0 111.56 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -63.78 -33.77 76.41 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.397 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.07 -30.3 71.24 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 121.542 0.687 . . . . 0.0 109.936 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.51 -18.6 41.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.543 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.496 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -63.05 -28.08 69.84 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -56.3 -56.49 20.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.671 0.748 . . . . 0.0 110.364 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.83 -34.57 78.68 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.94 -49.34 77.84 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.369 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.612 HG22 HD12 ' B' ' 40' ' ' LEU . 21.2 pt -70.34 -37.82 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.07 -40.54 77.08 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -105.88 -52.13 2.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.97 -18.25 50.85 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.972 0.509 . . . . 0.0 112.356 -169.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.612 HD12 HG22 ' B' ' 36' ' ' ILE . 3.6 tt -99.77 -55.33 2.68 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.3 t -41.71 128.52 3.31 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 125.084 1.354 . . . . 0.0 114.578 -170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.5 ' ND1' ' HG2' ' A' ' 4' ' ' GLU . 54.3 p-80 -173.17 120.81 0.36 Allowed 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.955 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 40.94 73.38 0.13 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.962 1.305 . . . . 0.0 113.526 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 98.7 mt -109.59 -174.01 2.4 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.432 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 74.28 11.0 4.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.736 1.614 . . . . 0.0 111.574 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -121.54 -17.82 7.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.836 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.435 HG21 ' O ' ' B' ' 81' ' ' THR . 54.9 mt -93.74 -85.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.353 -172.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.43 68.68 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -21.78 2.74 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.329 -172.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -56.18 -33.11 64.96 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.43 -51.24 10.33 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.2 -47.75 90.89 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.162 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.602 -172.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' B' ' 57' ' ' MET . 94.8 t -56.67 -43.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 O-C-N 123.406 0.441 . . . . 0.0 111.766 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.54 -39.53 77.41 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -66.32 -37.85 86.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 3.6 t -57.16 -54.74 26.4 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 C-N-CA 124.502 1.121 . . . . 0.0 110.111 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.5 mmt -59.0 -36.36 74.79 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 123.252 0.345 . . . . 0.0 111.467 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.65 -61.85 1.85 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -64.0 -42.48 97.17 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.481 HD11 HD12 ' B' ' 32' ' ' LEU . 13.6 tp -51.67 -51.02 59.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.797 0.839 . . . . 0.0 110.98 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.05 -37.91 28.27 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.093 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.04 -35.26 76.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.55 -45.84 90.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.0 56.72 21.71 Favored Glycine 0 CA--C 1.502 -0.773 0 CA-C-N 114.542 -1.208 . . . . 0.0 114.465 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -98.01 152.08 19.65 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.3 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.69 -20.2 67.96 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 114.958 0.743 . . . . 0.0 114.958 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 10.1 pt-20 -139.89 173.36 11.61 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 117.912 0.856 . . . . 0.0 112.202 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.445 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.5 t -139.34 131.36 27.9 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 105.607 -1.998 . . . . 0.0 105.607 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -97.73 169.13 9.89 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.169 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -59.64 -31.6 69.66 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.121 0.486 . . . . 0.0 111.044 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.5 -36.33 82.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.628 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.509 ' O ' ' HD2' ' B' ' 76' ' ' PHE . 44.3 mt-10 -71.25 -40.76 70.8 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.73 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.614 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.3 m-85 -53.18 -54.49 35.13 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.395 0.435 . . . . 0.0 110.754 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.42 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.23 -48.5 71.01 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 124.008 0.817 . . . . 0.0 111.951 178.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -59.48 -53.52 57.17 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.618 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.509 ' HD2' ' O ' ' B' ' 72' ' ' GLU . 81.0 m-85 -62.78 -46.9 85.83 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.614 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.2 p -66.13 -47.19 85.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.419 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.686 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.6 ptt? -76.51 -23.48 53.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.293 -1.363 . . . . 0.0 111.961 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 m -82.41 -52.53 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.435 ' O ' HG21 ' B' ' 47' ' ' ILE . 22.3 m -85.87 -40.81 15.56 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 61.3 m -89.0 -38.64 14.28 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.52 -0.738 . . . . 0.0 112.477 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.45 75.59 1.93 Allowed 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 42.2 t -90.32 -44.92 9.37 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.0 -2.593 . . . . 0.0 104.0 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -155.01 166.65 32.91 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 102.797 -3.038 . . . . 0.0 102.797 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.86 88.13 2.86 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 55.89 76.73 0.27 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.677 1.591 . . . . 0.0 112.209 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -136.05 -64.51 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.203 -0.31 . . . . 0.0 111.004 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.08 -26.05 65.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.208 0.528 . . . . 0.0 111.592 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -116.22 -46.38 2.8 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.755 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.5 ' OXT' ' HB2' ' A' ' 15' ' ' HIS . 45.4 mt-10 . . . . . 0 C--O 1.239 0.534 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 -164.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 m . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.171 0.51 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.79 -28.42 24.52 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' B' ' 40' ' ' LEU . 2.7 tm? -69.12 -40.89 78.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.182 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.1 pt-20 -56.69 -44.11 81.17 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.4 -45.84 92.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.782 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.02 96.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.432 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' HG22 ' B' ' 77' ' ' VAL . 57.0 ttp -65.26 -43.35 91.59 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 120.939 0.399 . . . . 0.0 110.753 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 4' ' ' GLU . 78.0 t -60.85 -45.37 98.19 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.051 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -57.45 -52.18 66.43 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 122.814 0.446 . . . . 0.0 111.449 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -56.49 -47.9 78.29 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.258 0.551 . . . . 0.0 111.536 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.11 -41.9 67.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.315 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 17.6 t70 -76.85 -25.28 52.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 9' ' ' ALA . 71.3 t -66.05 -36.44 77.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.835 174.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -72.17 -23.71 61.32 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.216 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 50.3 t60 -65.77 -40.63 92.2 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 121.368 0.604 . . . . 0.0 109.845 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -68.24 -15.27 63.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.224 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.71 146.69 29.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.511 0.672 . . . . 0.0 109.703 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 m -87.7 6.88 32.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.169 0.509 . . . . 0.0 111.725 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 50.68 0.75 Allowed Glycine 0 C--O 1.198 -2.149 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.398 -178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 -41.65 2.4 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.512 172.778 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.24 -39.29 15.56 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.84 -29.31 74.48 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.224 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.21 -165.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 55.1 tttm -81.71 28.38 0.41 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.017 1.727 . . . . 0.0 109.785 -175.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.578 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 24.7 m-70 71.75 8.45 6.11 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.254 1.421 . . . . 0.0 109.927 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -125.97 169.0 13.15 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.99 -17.28 13.63 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' C ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 mptt 74.05 132.49 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.134 1.374 . . . . 0.0 108.265 -168.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 85.0 mttt -63.68 -24.2 67.69 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.146 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 27.3 t -56.4 -41.66 76.66 Favored 'General case' 0 C--O 1.199 -1.564 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.8 -17.35 59.08 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 121.377 -0.827 . . . . 0.0 113.057 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.87 -26.18 67.99 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HB2' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -61.09 -31.2 70.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.075 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -79.69 -33.15 41.34 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 0.0 109.981 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.48 -54.36 37.59 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.285 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' A' ' 40' ' ' LEU . 11.9 pt -63.2 -34.59 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.86 -30.38 70.09 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.696 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -102.91 -57.8 1.98 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 43.5 mm-40 -82.82 -11.19 58.44 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -171.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' A' ' 77' ' ' VAL . 1.4 tt -78.59 -39.44 37.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.887 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -31.65 97.58 0.01 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.373 1.869 . . . . 0.0 114.89 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -140.89 82.54 1.85 Allowed 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.554 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 54.31 73.8 0.37 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.334 1.021 . . . . 0.0 110.441 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 HD22 ' H ' ' A' ' 44' ' ' LEU . 2.4 mm? -60.07 -31.85 70.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.962 -172.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 26.0 mp0 -69.26 -26.19 64.65 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.086 0.47 . . . . 0.0 111.427 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -88.06 -19.47 27.05 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 121.049 0.452 . . . . 0.0 112.148 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -104.44 179.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.134 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -77.35 -81.22 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 53' ' ' VAL . 62.8 mt-10 58.27 -67.84 0.03 OUTLIER 'General case' 0 C--O 1.193 -1.887 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -50.62 -39.19 49.65 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -163.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.93 -35.09 64.57 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.62 0.724 . . . . 0.0 109.676 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG12 HG23 ' A' ' 56' ' ' VAL . 21.3 t -86.91 -31.25 6.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.121 -171.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 57' ' ' MET . 86.4 t -54.21 -53.78 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.232 0.613 . . . . 0.0 111.443 -175.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.6 -41.29 97.22 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 123.503 0.502 . . . . 0.0 111.189 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -66.12 -42.42 89.2 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.453 HG23 HG12 ' A' ' 52' ' ' VAL . 3.5 t -58.21 -49.5 81.51 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.213 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.866 174.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -58.11 -39.78 79.54 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.56 -52.22 58.77 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.247 0.546 . . . . 0.0 110.64 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.2 p -70.41 -44.55 67.69 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 23.7 tp -56.63 -49.2 75.69 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 124.12 0.968 . . . . 0.0 110.751 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.64 -35.62 67.82 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.587 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -80.14 -41.34 25.58 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.28 -48.07 45.28 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -81.46 62.68 4.46 Favored Glycine 0 CA--C 1.498 -1.029 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.5 -176.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.71 -37.05 85.35 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 124.386 1.074 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' HA2' ' HE3' ' A' ' 28' ' ' LYS . . . -131.78 -32.52 0.46 Allowed Glycine 0 N--CA 1.431 -1.654 0 C-N-CA 120.031 -1.08 . . . . 0.0 114.219 -177.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 6.6 mm-40 -114.49 149.1 36.89 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.123 -171.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.559 ' HB2' ' C ' ' A' ' 28' ' ' LYS . 45.4 t -149.25 123.23 9.39 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.6 -176.73 3.03 Favored 'General case' 0 C--N 1.283 -2.315 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 2.1 p90 -75.73 -17.68 59.84 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.214 0.53 . . . . 0.0 111.905 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -77.15 -38.38 51.99 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.043 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 2.4 mp0 -71.84 -29.58 64.55 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -55.55 -54.23 46.65 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -47.45 85.66 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.474 0.654 . . . . 0.0 111.34 175.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.91 10.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.253 74.8 m-85 -66.25 -37.65 86.0 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -174.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.627 HG23 ' HG ' ' A' ' 40' ' ' LEU . 4.7 p -64.87 -47.63 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.346 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.11 76.75 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.598 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 27.1 ptm -79.36 -23.25 43.49 Favored 'General case' 0 C--O 1.196 -1.726 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.33 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.16 -37.75 13.22 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.963 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.543 ' OG1' HD21 ' A' ' 40' ' ' LEU . 94.5 m -74.55 -59.25 2.81 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.145 0.578 . . . . 0.0 112.221 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 m -86.45 -60.66 1.93 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -173.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 58.59 128.2 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.5 t 68.85 -46.32 0.55 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.851 1.661 . . . . 0.0 113.351 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.7 85.32 2.32 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 123.538 0.735 . . . . 0.0 109.562 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.64 152.74 44.94 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.406 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.06 -18.15 0.38 Allowed 'General case' 0 C--O 1.178 -2.69 0 CA-C-O 118.191 -0.909 . . . . 0.0 113.059 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -42.63 -37.28 1.65 Allowed 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.014 1.326 . . . . 0.0 113.812 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.77 -25.14 65.47 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -130.72 -61.97 0.93 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.687 0.395 . . . . 0.0 111.825 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 117.48 -1.248 . . . . 0.0 111.597 -172.22 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.591 ' O ' ' HG2' ' B' ' 4' ' ' GLU . 26.9 m . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.119 0.485 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -85.03 -27.66 26.24 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 40' ' ' LEU . 2.6 tm? -67.68 -41.02 84.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.303 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' B' ' 1' ' ' SER . 15.3 pt-20 -58.38 -42.15 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -62.52 -44.76 95.58 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.975 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.83 92.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.201 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.505 ' SD ' HG22 ' A' ' 77' ' ' VAL . 57.7 ttp -64.22 -44.13 92.84 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.003 0.43 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.56 -43.85 95.41 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.618 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.409 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -57.24 -53.05 62.51 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.286 0.366 . . . . 0.0 111.526 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.56 -47.11 80.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.244 0.545 . . . . 0.0 111.487 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.97 -42.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.225 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 19.2 t70 -76.98 -22.71 52.75 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 9' ' ' ALA . 63.3 t -67.87 -37.38 78.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 121.659 -0.651 . . . . 0.0 109.591 173.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -71.68 -26.79 62.66 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.947 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 69.3 t60 -62.25 -43.47 98.76 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 121.348 0.594 . . . . 0.0 109.915 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -63.18 -22.71 67.04 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.885 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.18 144.66 40.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.18 0.514 . . . . 0.0 110.829 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -79.22 2.35 21.46 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.16 58.11 0.42 Allowed Glycine 0 C--O 1.198 -2.14 0 C-N-CA 119.637 -1.268 . . . . 0.0 114.089 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -127.1 -46.16 1.53 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.248 172.323 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.36 -40.77 20.89 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.77 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.918 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.36 -163.71 1.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' B' ' 24' ' ' LYS . 58.1 tttm -83.45 29.74 0.5 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.891 1.676 . . . . 0.0 109.122 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' B' ' 20' ' ' ARG . 31.8 m-70 70.48 7.37 6.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.91 1.284 . . . . 0.0 109.906 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 8.9 mmpt? -123.78 172.27 8.99 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.44 -18.54 12.42 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.528 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.7 mptt 73.53 131.82 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.17 1.388 . . . . 0.0 108.175 -168.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 81.3 mttt -63.68 -22.55 66.96 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.176 -0.328 . . . . 0.0 111.173 -176.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 34.0 t -56.93 -43.56 81.6 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.14 -17.15 60.46 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.469 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.43 -26.31 68.43 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 172.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.594 ' HB2' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -60.99 -34.16 74.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 174.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -74.13 -38.42 63.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.494 0.664 . . . . 0.0 109.476 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.38 -54.36 46.55 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.776 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.469 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.7 pt -64.04 -32.1 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.41 -31.44 67.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.325 0.583 . . . . 0.0 110.836 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -106.56 -60.66 1.63 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 49.3 mm-40 -78.19 -8.69 58.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -171.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.63 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.5 tt -80.74 -38.06 29.4 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.962 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -31.51 93.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.649 1.98 . . . . 0.0 115.251 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -139.49 80.23 1.76 Allowed 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.804 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 57.22 74.71 0.4 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.429 1.091 . . . . 0.0 111.089 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.457 ' H ' HD22 ' B' ' 44' ' ' LEU . 2.3 mm? -60.7 -35.66 76.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.537 -172.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -20.34 64.99 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.485 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.15 3.28 40.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.852 -173.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 pt -126.68 173.07 13.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.092 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -72.41 -78.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.454 ' O ' HG23 ' B' ' 53' ' ' VAL . 60.0 mt-10 54.02 -71.59 0.01 OUTLIER 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 177.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.13 -41.06 25.58 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -163.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.97 -38.9 76.2 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.958 0.885 . . . . 0.0 109.994 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.414 HG12 HG23 ' B' ' 56' ' ' VAL . 23.3 t -84.4 -30.21 7.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.946 -171.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' B' ' 57' ' ' MET . 86.6 t -54.27 -53.09 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.264 0.625 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 31.4 m-20 -65.58 -37.5 86.84 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.026 -176.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.39 -39.77 81.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.386 0.612 . . . . 0.0 109.702 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.414 HG23 HG12 ' B' ' 52' ' ' VAL . 3.5 t -59.66 -49.66 82.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.192 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.555 173.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.594 ' SD ' ' HB2' ' B' ' 33' ' ' LYS . 24.2 mmt -58.09 -38.34 76.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 42.6 mt-10 -63.46 -54.75 31.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 110.388 177.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 14.9 p -69.65 -45.56 68.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 21.8 tp -55.95 -47.13 78.15 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.237 1.015 . . . . 0.0 110.747 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.16 -36.97 64.14 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.499 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -78.06 -43.05 30.33 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.98 0.419 . . . . 0.0 112.025 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.2 -41.08 58.64 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.851 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -84.9 60.74 4.77 Favored Glycine 0 CA--C 1.495 -1.165 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.815 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.11 -37.99 89.24 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 124.472 1.109 . . . . 0.0 111.061 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.19 -29.07 0.52 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.031 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 9.3 mm-40 -114.86 148.21 38.86 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -171.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C ' ' B' ' 28' ' ' LYS . 42.1 t -150.81 123.17 8.39 Favored 'General case' 0 CA--C 1.476 -1.901 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 162.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.64 -174.63 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -77.08 -17.65 58.56 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.91 -36.32 56.73 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.745 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.95 -30.06 62.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.555 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -55.8 -52.76 62.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.452 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -48.01 83.44 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.414 0.626 . . . . 0.0 111.353 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -55.93 28.36 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.413 ' HA ' ' HG2' ' B' ' 79' ' ' MET 0.268 74.0 m-85 -67.4 -36.65 81.72 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -174.133 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.63 HG23 ' HG ' ' B' ' 40' ' ' LEU . 4.6 p -65.87 -46.69 87.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.213 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.17 78.42 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.608 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptm -78.9 -23.08 45.0 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.497 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.98 -38.7 14.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 118.048 -1.461 . . . . 0.0 109.904 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.515 ' OG1' HD21 ' B' ' 40' ' ' LEU . 91.8 m -74.32 -59.41 2.74 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 123.03 0.532 . . . . 0.0 112.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.2 m -85.32 -63.5 1.32 Allowed 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.887 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 60.96 127.7 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.5 t 69.15 -45.02 0.55 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.945 1.698 . . . . 0.0 113.307 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.94 80.66 1.67 Allowed 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 123.609 0.763 . . . . 0.0 110.213 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.93 150.27 48.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.362 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 74.51 -13.59 0.79 Allowed 'General case' 0 C--O 1.179 -2.62 0 CA-C-O 118.268 -0.872 . . . . 0.0 112.79 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -47.32 -35.23 7.74 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.004 0.922 . . . . 0.0 113.258 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.72 -22.24 62.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -129.16 -64.16 0.92 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.735 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.012 -173.509 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 39' ' ' GLU . 16.2 m . . . . . 0 C--O 1.257 1.462 0 CA-C-O 121.581 0.705 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.74 -44.93 70.33 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 125.336 1.455 . . . . 0.0 112.004 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 40' ' ' LEU . 4.6 mm? -66.53 -28.64 68.71 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.79 -58.92 6.13 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.398 0.436 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -25.33 67.08 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.49 -55.62 5.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttp -68.52 -34.61 76.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -66.13 -30.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB1' ' HG3' ' B' ' 2' ' ' GLU . . . -71.02 -35.04 71.87 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.602 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.93 -34.59 78.47 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 70.7 mt -71.76 -41.22 70.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.281 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.602 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 30.1 t70 -64.37 -29.71 70.77 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.97 0.891 . . . . 0.0 110.295 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.89 -35.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 13.4 m-85 -80.52 -9.37 59.77 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.814 0.816 . . . . 0.0 109.702 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 17.7 t60 -83.03 -43.46 16.31 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -76.27 -46.44 27.98 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.483 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -96.33 126.06 41.27 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -151.39 106.74 3.33 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 121.379 0.609 . . . . 0.0 111.553 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.93 53.77 1.91 Allowed Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.558 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.4 ptt180 -59.37 -52.44 65.6 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.437 -0.881 . . . . 0.0 113.118 -173.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' OE1' ' HG3' ' A' ' 20' ' ' ARG . 8.5 mp0 -90.01 -50.82 5.8 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.187 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.04 -44.35 67.68 Favored Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -171.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' HD3' ' A' ' 28' ' ' LYS . 21.5 m-20 -101.18 34.66 2.46 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 112.045 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 61.69 33.31 18.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 111.415 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 41.2 t-80 82.94 -1.95 1.26 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.764 1.626 . . . . 0.0 113.295 174.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 7.0 mmpt? -120.91 -171.4 2.18 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.871 -0.518 . . . . 0.0 110.292 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.96 -35.42 13.31 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -171.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 30' ' ' SER . 13.8 mptt 63.99 174.67 0.18 Allowed 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.904 0.859 . . . . 0.0 110.754 -174.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.39 -19.05 59.77 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.929 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 4.7 m -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.26 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.09 -18.4 37.0 Favored 'General case' 0 CA--C 1.502 -0.868 0 C-N-CA 118.433 -1.307 . . . . 0.0 112.081 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD13 HG23 ' A' ' 36' ' ' ILE . 2.2 tm? -62.76 -26.99 68.98 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 30' ' ' SER . 4.2 ttmm -56.63 -55.49 33.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.47 1.108 . . . . 0.0 110.787 173.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.92 -27.71 68.39 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.243 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 40' ' ' LEU . 29.3 tp -66.05 -58.38 5.62 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.85 176.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' HA ' HD13 ' A' ' 40' ' ' LEU . 10.2 pt -55.66 -41.1 63.37 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 123.604 0.762 . . . . 0.0 113.024 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -73.58 -33.26 64.55 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -117.21 -78.41 0.58 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -76.96 -12.09 59.9 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.546 0.689 . . . . 0.0 112.691 -169.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 36' ' ' ILE . 8.0 tt -78.35 -42.43 30.55 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.006 0.431 . . . . 0.0 110.279 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 69.3 p -135.01 -166.28 1.8 Allowed 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.942 -166.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -99.58 -47.56 5.06 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 170.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -167.38 -55.92 0.03 OUTLIER 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.233 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD12 ' HG2' ' A' ' 49' ' ' GLU . 3.0 mm? 68.79 127.75 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.92 1.288 . . . . 0.0 111.569 -173.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -122.63 -86.6 0.65 Allowed 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -169.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -138.54 40.47 2.22 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.174 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -88.35 -49.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 120.74 0.305 . . . . 0.0 111.078 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -174.15 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.529 ' HG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -51.3 -31.23 20.71 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 126.909 2.084 . . . . 0.0 113.68 175.297 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -48.01 -35.32 10.81 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.433 1.093 . . . . 0.0 112.484 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -43.77 69.24 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG11 ' O ' ' A' ' 79' ' ' MET . 22.1 t -81.71 -30.22 10.46 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.493 -174.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 56' ' ' VAL . 77.1 t -60.63 -40.9 86.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.006 0.432 . . . . 0.0 110.742 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.22 -42.63 83.74 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.488 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.67 -33.39 75.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.304 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.4 p -70.49 -35.29 61.18 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.1 mmt -67.47 -39.23 85.26 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.84 -55.22 20.84 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -63.13 -39.07 93.61 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.0 0.52 . . . . 0.0 111.28 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.678 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 4.9 tp -51.78 -51.21 58.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.249 1.02 . . . . 0.0 109.794 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -72.23 -38.48 68.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.763 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.88 -59.95 3.88 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.076 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.34 -51.86 13.9 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.414 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.68 -86.68 0.07 OUTLIER Glycine 0 C--O 1.258 1.623 0 O-C-N 123.88 0.738 . . . . 0.0 113.829 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.98 172.28 8.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.63 0.772 . . . . 0.0 109.273 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.51 96.8 2.43 Favored Glycine 1 N--CA 1.394 -4.143 0 N-CA-C 104.45 -3.46 . . . . 0.0 104.45 -169.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.24 101.27 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.284 1.226 . . . . 0.0 111.167 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 t -79.99 122.93 27.34 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -140.6 -159.83 1.0 Allowed 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -51.01 -32.74 22.29 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -72.11 -55.18 7.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.226 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 50.4 mt-10 -68.26 -33.22 73.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.544 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 77' ' ' VAL . 8.4 m-85 -54.05 -55.53 26.56 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.325 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.9 99.44 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.308 0.38 . . . . 0.0 111.169 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.67 85.8 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.538 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 32.7 m-85 -76.01 -45.17 35.9 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 73' ' ' PHE . 5.8 p -62.94 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -71.57 -24.33 61.9 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.587 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.607 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 22.3 ptt? -85.12 -29.66 24.65 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.398 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.98 -43.13 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.716 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.53 -57.71 3.03 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.397 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 24.1 m -81.63 -68.2 0.71 Allowed 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.491 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 58.91 -84.76 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.819 1.248 . . . . 0.0 111.711 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.72 118.3 15.92 Favored 'General case' 0 N--CA 1.414 -2.255 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.7 m80 56.06 89.52 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 82' ' ' THR . 76.5 mm-40 -133.84 14.06 3.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 169.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -91.05 16.56 9.4 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.696 -174.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -99.45 -18.58 17.38 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.261 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.98 -67.64 0.69 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.73 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -85.37 -57.28 3.14 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.237 0.413 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -169.432 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.454 ' HB2' ' HG3' ' B' ' 4' ' ' GLU . 12.9 m . . . . . 0 C--O 1.265 1.89 0 CA-C-O 121.292 0.568 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.436 ' HG3' ' HB1' ' A' ' 9' ' ' ALA . 5.4 tp10 -55.53 -43.68 75.97 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.279 1.031 . . . . 0.0 111.998 -172.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 mm? -66.74 -29.29 69.22 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' B' ' 1' ' ' SER . 50.7 mt-10 -60.19 -58.99 6.17 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 123.475 0.484 . . . . 0.0 110.36 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -24.61 67.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.434 -175.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.16 -55.13 5.7 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.266 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttp -68.72 -34.98 76.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.76 -30.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.1 71.49 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.407 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.22 -34.68 78.57 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.4 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 88.7 mt -72.2 -41.65 66.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.079 176.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 32.7 t70 -65.65 -25.52 67.39 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 122.046 0.927 . . . . 0.0 110.309 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.7 -34.82 72.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.574 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 14.5 m-85 -78.77 -13.33 59.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.146 0.974 . . . . 0.0 109.001 176.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.576 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 24.9 t60 -77.76 -44.5 27.49 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.792 -1.094 . . . . 0.0 108.582 175.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -75.11 -48.23 24.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.95 121.66 35.64 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -143.17 113.75 7.47 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.376 0.608 . . . . 0.0 110.991 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.67 47.8 1.07 Allowed Glycine 0 CA--C 1.495 -1.209 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.53 ' HA ' ' HA ' ' B' ' 25' ' ' HIS . 7.8 ptt180 -54.39 -50.68 66.97 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.506 1.122 . . . . 0.0 112.974 -174.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 2.0 mp0 -92.05 -56.07 3.21 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.005 0.431 . . . . 0.0 111.604 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.96 80.58 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 115.6 1.0 . . . . 0.0 115.6 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.59 32.74 2.46 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.566 0.698 . . . . 0.0 112.183 -173.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 61.88 37.37 15.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.467 1.107 . . . . 0.0 111.44 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' B' ' 20' ' ' ARG . 32.4 t-80 79.74 -1.26 2.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.272 1.429 . . . . 0.0 113.138 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 6.5 mmpt? -124.22 -173.78 2.85 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.961 -0.462 . . . . 0.0 110.258 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.84 -36.72 14.05 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -170.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 64.38 175.25 0.19 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.881 0.848 . . . . 0.0 110.856 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.54 -19.19 59.49 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.166 174.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 11.7 m -63.54 -36.61 84.35 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.516 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.13 -18.78 33.16 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.32 -1.352 . . . . 0.0 112.126 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.8 -27.8 69.43 Favored 'General case' 0 CA--C 1.563 1.465 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.509 ' HB2' HD21 ' B' ' 60' ' ' LEU . 4.2 ttmm -55.67 -55.76 28.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.737 1.215 . . . . 0.0 110.487 174.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.3 -28.69 69.49 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.411 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' B' ' 40' ' ' LEU . 29.7 tp -66.09 -57.65 7.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.842 177.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.589 HG22 HD13 ' B' ' 40' ' ' LEU . 8.3 pt -55.09 -40.09 53.23 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 123.35 0.66 . . . . 0.0 112.636 -177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -75.34 -36.95 60.94 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.938 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -110.29 -77.52 0.59 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -170.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 1' ' ' SER . 11.6 tp10 -83.18 -11.43 57.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -168.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.589 HD13 HG22 ' B' ' 36' ' ' ILE . 8.0 tt -78.26 -45.89 21.68 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.205 0.526 . . . . 0.0 109.992 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.523 ' HB2' ' CD2' ' B' ' 44' ' ' LEU . 69.4 p -132.99 -168.77 2.13 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.065 -168.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -94.35 -57.68 2.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -157.78 -59.42 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.972 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' B' ' 41' ' ' SER 0.268 3.2 mm? 73.41 127.88 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.71 1.604 . . . . 0.0 111.406 -174.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -125.93 -85.1 0.63 Allowed 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -167.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.06 41.23 2.29 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.432 -171.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.92 -53.69 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 122.026 -0.421 . . . . 0.0 111.133 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -172.27 -44.76 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.508 ' HG2' HD12 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -49.17 -32.25 9.88 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 126.935 2.094 . . . . 0.0 113.974 173.383 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -47.63 -34.44 7.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.695 1.198 . . . . 0.0 112.699 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.12 -45.46 63.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.472 HG11 ' O ' ' B' ' 79' ' ' MET . 22.0 t -79.37 -30.8 14.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.412 -174.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 56' ' ' VAL . 92.5 t -60.46 -42.43 91.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.959 0.409 . . . . 0.0 110.508 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.27 -40.18 93.58 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.802 0.811 . . . . 0.0 109.517 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -69.28 -32.76 72.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.113 -0.949 . . . . 0.0 113.358 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.697 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.3 p -70.47 -34.08 56.27 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.568 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.6 mmt -68.54 -39.55 81.07 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.72 -56.21 17.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.526 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.3 p -63.48 -38.93 93.01 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.805 0.442 . . . . 0.0 111.668 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.697 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 4.9 tp -50.74 -51.45 50.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.168 0.987 . . . . 0.0 109.658 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.0 -41.67 70.64 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 113.791 -1.55 . . . . 0.0 112.192 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.27 -58.32 6.87 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.95 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.78 -53.68 9.74 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.037 -174.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -85.82 0.07 OUTLIER Glycine 0 C--O 1.26 1.762 0 CA-C-N 115.683 -0.689 . . . . 0.0 113.816 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.33 168.74 10.06 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.394 1.078 . . . . 0.0 109.578 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.89 96.3 2.44 Favored Glycine 0 N--CA 1.402 -3.617 0 N-CA-C 104.945 -3.262 . . . . 0.0 104.945 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.28 101.74 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.46 1.33 . . . . 0.0 111.156 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 t -80.42 119.88 23.7 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.43 -159.85 1.0 Allowed 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.54 -35.49 41.04 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -68.47 -51.58 41.91 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.3 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.475 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 50.8 mt-10 -71.02 -34.35 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.163 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.619 ' O ' HG12 ' B' ' 77' ' ' VAL . 8.4 m-85 -54.38 -53.27 56.23 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.28 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -43.05 99.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.471 0.482 . . . . 0.0 111.377 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.0 71.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.057 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.475 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 32.1 m-85 -68.93 -43.73 74.52 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.619 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -64.78 -45.36 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.932 0.396 . . . . 0.0 111.982 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -71.83 -26.59 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.639 -176.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.589 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 23.1 ptt? -81.86 -32.53 31.05 Favored 'General case' 0 C--O 1.205 -1.287 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.262 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.81 -43.65 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.22 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 57.5 m -84.27 -55.74 4.02 Favored 'General case' 0 N--CA 1.423 -1.822 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.366 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.566 ' HA ' ' HG3' ' B' ' 86' ' ' GLU . 17.8 m -83.27 -69.49 0.63 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.788 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 58.24 -87.4 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.4 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 m -133.43 119.5 19.69 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 m80 57.17 89.45 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' B' ' 82' ' ' THR . 75.1 mm-40 -134.93 9.71 3.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 169.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -88.69 12.13 15.67 Favored 'General case' 0 C--O 1.202 -1.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.482 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -94.59 -14.77 24.66 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.302 0.573 . . . . 0.0 109.703 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.29 -71.43 0.44 Allowed 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.665 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -80.25 -55.15 5.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--O 1.242 0.697 0 O-C-N 125.094 1.496 . . . . 0.0 107.343 -168.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.487 ' HA ' ' OE2' ' A' ' 4' ' ' GLU . 35.9 p . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 120.591 0.234 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.92 -45.59 67.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.92 0.39 . . . . 0.0 110.161 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 3.4 tm? -76.43 -34.14 58.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' OE2' ' HA ' ' A' ' 1' ' ' SER . 43.3 mt-10 -54.02 -41.97 68.61 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 124.069 0.856 . . . . 0.0 109.315 177.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.49 -55.33 9.21 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.589 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.53 66.79 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.4 ttp -67.83 -37.2 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.082 0.468 . . . . 0.0 111.167 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.97 -39.04 76.97 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.007 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.88 88.16 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.55 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.26 4.4 pp -66.72 -31.34 71.94 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.3 pt -84.21 -25.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.52 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.77 -39.05 24.7 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.714 -176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.82 -31.36 53.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.27 -53.65 52.1 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -58.59 -52.76 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.956 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -78.63 -9.06 59.24 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.22 -33.7 61.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.052 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB2' HD21 ' A' ' 27' ' ' LEU . 49.7 m -150.5 90.53 1.65 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.28 -35.34 23.81 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.971 -172.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.494 ' HG3' ' OE2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -64.33 -27.23 68.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.858 0.829 . . . . 0.0 111.162 -175.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' OE2' ' HG3' ' A' ' 20' ' ' ARG . 1.1 pm0 -97.56 -54.12 3.23 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.68 -45.51 78.07 Favored Glycine 0 C--N 1.314 -0.64 0 O-C-N 124.22 0.95 . . . . 0.0 114.755 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -20.61 66.07 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.455 0.645 . . . . 0.0 111.421 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -99.62 -45.46 5.77 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.871 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -150.36 40.52 0.77 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.887 -173.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.44 -170.39 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.366 0.603 . . . . 0.0 110.086 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 18' ' ' SER . 91.0 mt -115.51 138.27 51.2 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 174.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -75.32 155.02 37.02 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.314 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 63.0 mttp -57.63 -25.35 60.01 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -176.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.597 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 1.5 m -63.07 -25.64 68.46 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 122.861 0.464 . . . . 0.0 110.578 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.53 -28.23 26.82 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.865 0.84 . . . . 0.0 109.169 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.2 tm? -64.14 -27.75 69.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.053 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -52.33 -45.86 65.82 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 124.854 1.262 . . . . 0.0 111.816 175.49 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.546 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.8 mt-10 -77.28 -33.5 55.79 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.279 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' HD13 ' A' ' 40' ' ' LEU . 37.6 tp -66.16 -33.03 74.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.667 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 7.6 pt -73.44 -38.34 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 176.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.59 -30.81 70.91 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 123.673 0.608 . . . . 0.0 111.414 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.46 -55.58 2.37 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -173.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -102.82 -50.85 3.43 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.472 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.667 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.7 mp -63.81 -35.36 80.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -125.54 102.21 7.27 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -110.26 20.37 17.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 79.2 m-85 -119.61 -60.13 1.75 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.623 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp 65.2 -59.24 0.27 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.565 1.546 . . . . 0.0 114.811 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.92 -23.73 44.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.371 0.605 . . . . 0.0 111.81 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 21.7 mm-40 -83.2 -168.74 2.21 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 48' ' ' LYS . 3.3 mt 59.68 -144.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' H ' HG22 ' A' ' 47' ' ' ILE . 24.9 tptp -169.98 83.58 0.11 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.1 pt-20 -146.15 7.36 1.03 Allowed 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.829 -170.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.89 -28.61 69.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -74.78 -50.98 15.33 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 80' ' ' VAL . 48.1 t -64.25 -39.81 86.83 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.738 -175.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.483 ' O ' ' HG2' ' A' ' 57' ' ' MET . 74.2 t -57.19 -40.41 73.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 O-C-N 123.423 0.452 . . . . 0.0 111.529 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.74 -43.3 76.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.824 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.03 -36.52 84.25 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.964 0.888 . . . . 0.0 109.952 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.58 -44.75 97.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.91 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.137 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.5 mmt -63.74 -22.6 66.99 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -76.66 -59.16 2.89 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.781 0.801 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 p -64.75 -41.6 95.79 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.804 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 18.4 tp -59.31 -39.7 83.87 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 123.249 0.62 . . . . 0.0 110.335 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.16 -47.61 56.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.704 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.79 -54.98 14.86 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.005 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.13 -14.54 61.4 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -77.05 51.93 3.25 Favored Glycine 0 C--N 1.301 -1.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.157 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.47 -36.54 26.41 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 120.972 0.415 . . . . 0.0 111.019 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.34 -62.3 0.12 Allowed Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.164 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.42 -179.24 6.29 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.333 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -125.75 122.74 37.11 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HB3' ' HG3' ' A' ' 72' ' ' GLU . 17.5 t70 -80.78 162.07 24.22 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -60.34 -31.06 69.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.473 0.654 . . . . 0.0 110.484 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.27 -36.9 74.71 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.049 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 55.2 mt-10 -72.2 -26.91 62.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.363 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' HG12 ' A' ' 77' ' ' VAL . 4.6 t80 -56.08 -58.86 6.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -41.54 99.27 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.014 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.25 -55.09 37.53 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -65.74 -41.63 91.93 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 73' ' ' PHE . 14.9 p -74.48 -40.34 48.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.083 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -26.81 61.57 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 121.707 -0.62 . . . . 0.0 111.138 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -79.67 -26.77 40.89 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.053 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 52' ' ' VAL . 26.9 m -76.51 -53.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.553 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.465 ' HA ' HG21 ' A' ' 47' ' ' ILE . 55.5 m -82.95 -38.43 22.75 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 m -99.47 -50.12 4.2 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.55 -24.65 57.31 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -173.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.409 ' SG ' HG21 ' A' ' 52' ' ' VAL . 65.8 m -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -132.79 -21.4 2.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.091 -0.381 . . . . 0.0 111.013 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 60.8 83.35 0.15 Allowed 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.42 1.088 . . . . 0.0 108.859 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.565 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 92.1 m-85 55.57 -102.1 0.14 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.914 -175.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 t80 59.87 -64.39 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.644 1.978 . . . . 0.0 113.034 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.45 -30.81 70.63 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.406 1.083 . . . . 0.0 108.648 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -108.84 -56.75 2.23 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.608 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 7.5 mm-40 . . . . . 0 N--CA 1.476 0.868 0 O-C-N 124.548 1.155 . . . . 0.0 108.331 -173.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 15.2 p . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 3.4 tm? -75.8 -33.94 60.15 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.94 -39.08 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.894 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 1' ' ' SER . 53.2 mtmt -72.9 -56.49 5.12 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.682 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.28 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.49 -37.99 80.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.406 -176.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.24 -38.24 69.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.727 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.82 90.41 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.799 0.44 . . . . 0.0 111.62 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . 0.262 4.3 pp -67.79 -30.75 70.26 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.0 pt -84.39 -27.09 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 119.34 -0.944 . . . . 0.0 110.583 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -76.64 -42.32 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.37 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.26 -54.39 34.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.11 -52.44 65.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.002 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.9 -9.18 59.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.318 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.43 ' HB3' ' CD ' ' B' ' 21' ' ' GLU . 49.0 m -151.63 93.95 1.93 Allowed 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.2 -10.04 59.98 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.45 ' HG3' ' OE1' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -82.02 -24.45 35.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.878 1.339 . . . . 0.0 109.32 -179.281 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -102.75 -55.55 2.41 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.249 178.273 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.54 -44.36 67.67 Favored Glycine 0 N--CA 1.467 0.756 0 O-C-N 124.103 0.877 . . . . 0.0 114.15 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.81 -26.42 68.73 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.463 0.649 . . . . 0.0 111.183 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -96.48 -54.62 3.19 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.01 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -142.02 41.2 1.66 Allowed 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.557 -173.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmpp? 62.95 -172.79 0.16 Allowed 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.399 0.618 . . . . 0.0 110.599 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' B' ' 18' ' ' SER . 90.0 mt -112.99 140.04 48.14 Favored 'General case' 0 CA--C 1.473 -2.013 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -77.84 155.79 30.81 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.547 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.447 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 63.8 mttp -57.44 -25.32 59.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.568 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 9.5 m -64.37 -24.86 67.79 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -84.53 -26.48 28.04 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.011 0.91 . . . . 0.0 108.917 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.447 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.2 tm? -66.42 -27.68 68.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.051 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.568 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.5 OUTLIER -52.87 -46.99 68.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 0.0 111.715 175.316 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.506 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 50.6 mt-10 -73.74 -34.73 64.87 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.737 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' B' ' 40' ' ' LEU . 35.3 tp -67.14 -34.93 78.62 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.052 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.673 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 8.0 pt -72.41 -38.93 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.46 -25.28 67.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 123.471 0.482 . . . . 0.0 111.984 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.51 -54.42 2.49 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -105.01 -52.88 2.76 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.399 -0.521 . . . . 0.0 112.2 -173.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.673 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.9 mp -62.99 -33.59 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.188 -174.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -129.37 96.36 4.27 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 172.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -101.58 9.98 40.69 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.127 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' B' ' 46' ' ' GLU . 64.3 m-85 -110.67 -59.11 2.0 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.333 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp 65.57 -66.5 0.15 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.15 1.38 . . . . 0.0 113.844 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.35 -24.16 62.05 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.149 0.5 . . . . 0.0 111.568 -175.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' B' ' 43' ' ' PHE . 30.9 mm-40 -80.3 -169.38 2.06 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.961 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' B' ' 81' ' ' THR . 4.3 mt 61.11 -137.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.44 ' H ' HG22 ' B' ' 47' ' ' ILE . 22.7 tptp -174.93 79.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.885 1.274 . . . . 0.0 107.571 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' B' ' 80' ' ' VAL . 7.8 pt-20 -140.18 8.62 2.27 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.663 -171.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -61.54 -33.72 74.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 0.0 111.119 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -47.91 61.13 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.439 HG12 HG12 ' B' ' 80' ' ' VAL . 44.7 t -65.4 -41.11 90.38 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.467 -174.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.6 t -56.82 -40.5 71.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 O-C-N 123.336 0.398 . . . . 0.0 111.507 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.58 -45.65 78.57 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.337 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.532 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 56.0 mtpt -64.83 -33.99 77.3 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.954 0.883 . . . . 0.0 110.056 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.088 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.8 mmt -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.532 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 42.6 mt-10 -74.22 -58.38 3.34 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.644 0.735 . . . . 0.0 109.076 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 p -65.24 -42.1 93.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.887 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' B' ' 29' ' ' LYS . 18.5 tp -60.15 -37.67 80.83 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.372 0.669 . . . . 0.0 110.162 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.17 -53.58 19.32 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.479 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.9 -50.41 49.87 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.873 -175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -13.7 61.1 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 121.582 0.706 . . . . 0.0 110.573 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -80.78 65.34 3.94 Favored Glycine 0 C--N 1.291 -1.952 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.97 -43.14 10.15 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.087 0.47 . . . . 0.0 110.568 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.5 -59.91 0.19 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.195 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -143.71 -178.35 5.86 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -175.626 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.33 123.09 30.93 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.9 164.81 18.15 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.144 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -59.25 -32.76 70.29 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 122.975 0.51 . . . . 0.0 111.015 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -69.2 -36.89 77.77 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.085 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.46 -28.43 62.93 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.249 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.466 ' O ' HG12 ' B' ' 77' ' ' VAL . 4.3 t80 -55.18 -58.55 7.21 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -41.67 98.79 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.247 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.31 -57.14 13.04 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.008 0.523 . . . . 0.0 112.255 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 73' ' ' PHE . 13.6 p -73.49 -40.52 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.032 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.42 -27.13 62.15 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -80.08 -26.11 39.75 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 118.353 -1.339 . . . . 0.0 112.237 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 28.2 m -77.19 -51.92 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.17 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.481 ' HA ' HG21 ' B' ' 47' ' ' ILE . 60.7 m -84.24 -35.72 23.22 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -103.84 -46.12 4.58 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -173.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.97 -18.29 56.47 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.58 -29.4 66.93 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -121.82 -14.16 8.14 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.908 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 58.2 78.64 0.24 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.144 0.903 . . . . 0.0 109.153 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' B' ' 91' ' ' GLU . 88.7 m-85 56.0 -101.71 0.13 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.42 -175.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.1 t80 63.02 -59.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.872 2.069 . . . . 0.0 113.097 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -68.37 -41.52 80.5 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -103.03 -55.78 2.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.232 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.573 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 12.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -171.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.447 ' HB3' ' HA ' ' B' ' 39' ' ' GLU . 51.0 m . . . . . 0 CA--C 1.557 1.212 0 CA-C-O 121.502 0.667 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -90.75 -48.16 7.21 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.163 -0.961 . . . . 0.0 110.764 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.4 tm? -63.57 -29.67 70.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 22.4 tt0 -53.54 -56.35 17.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.08 173.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -63.18 -27.61 69.48 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.461 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -64.41 -48.74 74.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.961 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -60.4 -41.53 94.07 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.687 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.97 -39.85 86.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.212 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -64.82 -37.56 88.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.852 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.757 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 3.9 mm? -59.19 -45.07 92.03 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.966 0.412 . . . . 0.0 111.672 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.3 pt -80.63 -32.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.668 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.3 t70 -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.75 0.309 . . . . 0.0 111.761 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.95 -30.32 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.514 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -75.04 -29.9 60.91 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 14.7 t60 -64.98 -38.2 90.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.27 1.028 . . . . 0.0 110.171 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -55.77 -40.06 72.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.694 0.759 . . . . 0.0 109.827 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.28 -161.6 0.85 Allowed 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 140.76 22.48 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.425 -0.797 . . . . 0.0 110.963 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.86 79.93 1.39 Allowed Glycine 0 N--CA 1.428 -1.882 0 N-CA-C 107.953 -2.059 . . . . 0.0 107.953 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -25.76 10.13 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.549 1.14 . . . . 0.0 112.059 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 25' ' ' HIS . 5.2 tm-20 -67.87 -22.16 65.13 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 126.533 1.933 . . . . 0.0 110.302 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.24 28.87 10.14 Favored Glycine 0 CA--C 1.497 -1.068 0 N-CA-C 108.041 -2.024 . . . . 0.0 108.041 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' HB3' ' CE2' ' B' ' 88' ' ' PHE 0.397 34.7 t70 35.91 64.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -115.9 -30.78 5.97 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 166.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB2' ' HG3' ' A' ' 21' ' ' GLU . 38.0 m80 -131.24 36.82 3.78 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.084 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.597 ' HD2' ' O ' ' A' ' 68' ' ' CYS . 26.3 mtmt 40.83 -102.62 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 172.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 92.2 mt -154.3 168.99 24.75 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' H ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -95.82 158.74 15.31 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.281 178.767 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -62.16 -19.63 63.27 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 32.8 t -65.43 -22.51 66.77 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.03 -29.99 43.91 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 73' ' ' PHE . 3.4 tm? -58.52 -27.0 64.1 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.42 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 30' ' ' SER . 1.7 tmmm? -55.89 -49.18 74.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.74 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -69.6 -28.84 66.28 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.236 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.89 -59.55 5.2 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.846 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.4 pt -60.79 -30.39 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -54.1 -38.28 65.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -116.6 -38.44 3.49 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.581 0.705 . . . . 0.0 112.665 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.573 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 68.1 mm-40 -83.92 24.34 0.92 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 77' ' ' VAL . 1.2 tt -138.83 -53.8 0.59 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -176.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -60.18 118.52 6.46 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -145.05 -74.18 0.24 Allowed 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -146.55 83.88 1.61 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.697 0.76 . . . . 0.0 109.353 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -149.91 111.54 4.5 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.77 -18.53 1.63 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -143.34 17.6 1.88 Allowed 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 47' ' ' ILE . 1.9 mp -82.42 -100.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.916 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -115.4 -8.34 12.24 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 123.027 1.394 . . . . 0.0 109.003 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.5 pt-20 -52.84 -37.36 60.06 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.842 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -53.59 -39.24 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.811 0.444 . . . . 0.0 111.376 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.53 -55.01 4.73 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.835 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.98 -40.06 79.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.221 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -171.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' A' ' 57' ' ' MET . 71.3 t -52.99 -51.33 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.269 0.486 . . . . 0.0 110.435 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.27 -42.25 84.17 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.244 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.77 -36.58 84.35 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.271 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -62.9 -48.28 88.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 123.564 0.745 . . . . 0.0 109.718 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.8 mmt -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.38 -53.61 10.31 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.5 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 p -64.86 -44.5 89.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -57.57 -45.59 85.01 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.525 0.516 . . . . 0.0 111.214 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.51 -28.41 24.98 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.962 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.74 -44.39 93.66 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.21 -49.13 65.7 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.35 -82.21 0.46 Allowed Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.49 0.956 . . . . 0.0 115.49 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.59 150.37 34.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.39 96.65 0.38 Allowed Glycine 0 N--CA 1.398 -3.878 0 N-CA-C 106.426 -2.67 . . . . 0.0 106.426 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 27' ' ' LEU 0.287 0.0 OUTLIER -56.94 111.1 0.94 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.146 0.974 . . . . 0.0 112.461 179.857 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.597 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 24.5 p -61.32 121.28 12.21 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 114.003 -1.453 . . . . 0.0 113.692 -165.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.96 163.19 14.09 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.417 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -58.75 -26.87 64.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.67 0.747 . . . . 0.0 110.024 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.84 -36.77 85.01 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.237 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 48.9 mt-10 -77.91 -35.3 50.79 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.2 m-85 -54.96 -54.25 45.22 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.756 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.37 -46.08 91.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.011 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -54.68 -58.98 5.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 123.798 0.686 . . . . 0.0 112.257 -177.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 93.6 m-85 -63.97 -43.3 96.16 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG ' ' A' ' 40' ' ' LEU . 8.8 p -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.4 66.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.571 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 25.2 ptt? -76.03 -23.58 55.15 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.28 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.495 HG11 HD11 ' A' ' 40' ' ' LEU . 7.6 p -79.59 -28.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.41 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -78.2 -43.84 27.38 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.838 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.5 p -118.03 -63.75 1.38 Allowed 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.25 -0.281 . . . . 0.0 111.582 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 93.6 -74.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.769 2.028 . . . . 0.0 112.828 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.0 t -110.12 -74.28 0.66 Allowed 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.745 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -142.86 29.03 1.53 Allowed 'General case' 0 CA--C 1.488 -1.425 0 CA-C-O 122.277 1.037 . . . . 0.0 110.481 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -79.64 26.31 0.31 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.998 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -71.12 -32.2 68.71 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' B' ' 23' ' ' ASP . 61.9 m-85 -74.93 84.56 2.23 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.796 0.808 . . . . 0.0 108.905 172.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -176.41 -55.47 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -110.95 -62.17 1.58 Allowed 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.098 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -168.106 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.457 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 16.4 m . . . . . 0 C--O 1.254 1.34 0 CA-C-O 120.928 0.394 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -89.89 -46.57 8.46 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 121.831 -0.543 . . . . 0.0 110.414 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.3 tm? -65.14 -30.56 71.49 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' B' ' 1' ' ' SER . 25.1 tt0 -52.83 -56.24 17.21 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.277 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -63.75 -25.74 68.33 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.726 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -66.08 -46.87 76.16 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -61.69 -41.85 98.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.489 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.97 -40.41 88.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.21 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -64.93 -37.94 89.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.023 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.756 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 3.9 mm? -59.45 -43.99 93.07 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.012 0.434 . . . . 0.0 111.606 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 pt -81.11 -33.26 12.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 C-N-CA 120.109 -0.637 . . . . 0.0 111.814 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 24.6 t70 -70.75 -30.97 67.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.503 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.13 -31.25 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.558 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -76.85 -25.21 52.9 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 8.4 t60 -67.96 -38.48 82.81 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.337 1.055 . . . . 0.0 109.603 173.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 33.7 mm-40 -56.75 -45.01 82.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.567 0.699 . . . . 0.0 109.793 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -88.03 -166.5 1.6 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t -143.93 139.52 29.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.595 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.76 75.58 1.66 Allowed Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 172.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.478 ' NH1' ' HA ' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -52.2 -26.21 11.07 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.988 1.315 . . . . 0.0 112.099 -174.634 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.87 -24.1 66.08 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 125.735 1.614 . . . . 0.0 109.58 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.9 31.43 7.73 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.504 ' HB3' ' CE2' ' A' ' 88' ' ' PHE 0.381 34.6 t70 33.58 67.24 0.2 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.42 -32.23 4.41 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 166.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -130.86 38.07 3.73 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.91 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.603 ' HD2' ' O ' ' B' ' 68' ' ' CYS . 23.8 mtmt 39.09 -101.42 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 172.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 94.0 mt -155.38 170.03 22.86 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -96.38 158.77 15.28 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 118.226 -1.39 . . . . 0.0 110.517 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.22 -20.95 64.73 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 47.5 t -65.25 -22.99 66.93 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.68 -27.05 37.18 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 109.516 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.47 -25.44 66.04 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.089 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.7 tmmm? -55.93 -49.71 72.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.748 173.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.29 -32.48 74.16 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.655 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -58.09 9.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.278 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.415 HG22 HD12 ' B' ' 40' ' ' LEU . 10.4 pt -63.06 -26.84 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.338 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -112.89 -54.97 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.025 0.44 . . . . 0.0 110.584 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 55.1 mm-40 -73.45 30.04 0.07 Allowed 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 125.462 1.505 . . . . 0.0 114.85 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.1 tt -143.64 -49.7 0.31 Allowed 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.8 m -68.46 120.39 14.45 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.504 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -146.49 -68.52 0.27 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -150.5 88.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.509 1.124 . . . . 0.0 108.873 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.01 110.77 2.39 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.53 -30.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.24 15.36 11.41 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -167.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.435 ' N ' HD12 ' B' ' 47' ' ' ILE 0.304 1.9 mp -85.66 -105.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.534 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.847 -176.508 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -114.14 -6.73 13.06 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 123.298 1.523 . . . . 0.0 108.682 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.424 ' O ' HG23 ' B' ' 53' ' ' VAL . 10.7 pt-20 -57.08 -35.64 69.62 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 112.398 -2.183 . . . . 0.0 112.909 -177.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -54.37 -37.16 64.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.368 0.604 . . . . 0.0 111.105 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.75 -54.82 4.83 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.09 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.08 -38.84 81.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -171.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' B' ' 57' ' ' MET . 72.8 t -53.06 -50.25 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 118.329 0.513 . . . . 0.0 110.209 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.64 -39.28 77.2 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.514 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -37.6 87.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.166 0.508 . . . . 0.0 109.723 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.83 -49.75 82.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.874 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.6 mmt -60.64 -32.8 71.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.52 -50.88 10.82 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.796 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.1 p -67.0 -43.15 83.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' B' ' 76' ' ' PHE . 37.9 tp -57.26 -46.55 82.96 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 123.521 0.513 . . . . 0.0 111.534 -177.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.15 -29.16 26.9 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.6 -45.14 91.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.86 -45.32 74.88 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 174.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 -82.58 0.19 Allowed Glycine 0 C--O 1.247 0.914 0 N-CA-C 115.449 0.939 . . . . 0.0 115.449 169.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.13 145.72 33.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.62 0.17 Allowed Glycine 0 N--CA 1.402 -3.612 0 N-CA-C 106.458 -2.657 . . . . 0.0 106.458 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' B' ' 27' ' ' LEU 0.295 0.0 OUTLIER -54.64 110.77 0.69 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.366 1.079 . . . . 0.0 112.762 -179.129 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.603 ' O ' ' HD2' ' B' ' 26' ' ' LYS . 22.2 p -62.91 123.98 19.9 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.791 -1.549 . . . . 0.0 114.545 -164.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -95.07 167.4 11.4 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.222 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -59.63 -27.95 66.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.435 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.85 -36.2 82.47 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.962 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.526 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 46.9 mt-10 -79.03 -35.99 41.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.565 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.58 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.2 m-85 -54.9 -54.02 47.93 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.757 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.29 -44.61 96.12 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.166 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -55.8 -59.3 5.07 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 123.554 0.534 . . . . 0.0 112.247 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 91.7 m-85 -62.46 -44.86 95.38 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG ' ' B' ' 40' ' ' LEU . 9.1 p -69.15 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.89 -38.4 61.89 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 24.9 ptt? -75.99 -23.94 55.3 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.043 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.475 HG11 HD11 ' B' ' 40' ' ' LEU . 7.8 p -79.02 -27.49 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.252 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -81.83 -39.82 23.42 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.22 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.9 p -123.44 -58.89 1.59 Allowed 'General case' 0 C--O 1.213 -0.84 0 O-C-N 122.089 -0.382 . . . . 0.0 112.018 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 85.42 -71.49 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.627 1.571 . . . . 0.0 113.375 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.9 t -110.56 -73.14 0.69 Allowed 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.652 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.414 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 66.5 m-70 -144.39 29.55 1.28 Allowed 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.088 0.947 . . . . 0.0 111.066 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -78.84 25.76 0.26 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.037 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -70.89 -32.2 69.09 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 54.0 m-85 -74.48 86.83 2.06 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.951 0.881 . . . . 0.0 108.95 172.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -178.51 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 103.345 -2.835 . . . . 0.0 103.345 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -122.93 -60.73 1.49 Allowed 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.226 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.353 0.723 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -167.273 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -73.07 -53.9 9.9 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.184 0.594 . . . . 0.0 110.567 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -38.99 92.59 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.926 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 37.5 tt0 -50.76 -57.94 7.15 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.969 1.308 . . . . 0.0 110.746 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 36.3 ttpt -53.64 -45.34 70.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.798 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -63.83 -49.41 72.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.712 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.74 -46.25 91.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.306 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.57 -43.76 98.37 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -62.39 -35.75 80.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 13' ' ' VAL . 98.2 mt -65.88 -49.89 66.46 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.198 0.523 . . . . 0.0 111.288 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 pt -73.36 -35.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.539 ' HA ' ' HB3' ' A' ' 15' ' ' HIS . 31.9 t70 -74.11 -22.69 59.38 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 10' ' ' LEU . 7.3 p -67.18 -44.58 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.547 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.638 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -90.99 20.18 5.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.473 1.13 . . . . 0.0 111.955 175.332 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 12' ' ' ASP . 23.1 t60 -95.07 -40.15 9.78 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -76.11 -47.11 25.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.579 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' HD1' ' A' ' 14' ' ' PHE . 75.0 m-85 -93.15 130.29 38.85 Favored 'General case' 0 C--O 1.198 -1.646 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 t -157.6 177.5 11.33 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -92.47 -160.5 35.9 Favored Glycine 0 N--CA 1.43 -1.759 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.161 -178.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -35.42 4.19 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.435 -0.383 . . . . 0.0 111.675 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -134.07 -75.43 0.47 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.475 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.27 -36.1 35.79 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.572 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -87.98 1.6 53.76 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.414 0.626 . . . . 0.0 110.734 -175.806 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -92.27 -28.86 16.72 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -77.72 -60.05 2.53 Favored 'General case' 0 C--O 1.207 -1.16 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 52.8 mtpt -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 171.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HG ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mm? -65.4 -25.86 67.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -162.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 70.74 146.08 0.07 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.594 1.158 . . . . 0.0 111.127 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.82 -33.77 73.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.01 0.434 . . . . 0.0 111.863 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -61.49 -34.31 75.26 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.164 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.71 -26.7 25.75 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.315 0.579 . . . . 0.0 110.389 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.3 tm? -64.0 -22.21 66.83 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -55.95 -58.28 8.56 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.373 1.069 . . . . 0.0 109.74 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -53.51 -40.04 65.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.421 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.09 -54.27 43.69 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.859 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.3 pt -68.57 -34.47 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.48 -48.3 70.31 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.834 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -107.18 -33.46 7.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -103.02 -7.48 21.37 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -170.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 5.4 tt -65.56 -64.07 0.95 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t 178.59 152.28 0.32 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -105.97 -17.15 14.43 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.494 -0.883 . . . . 0.0 110.949 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -101.95 99.64 9.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.059 0.933 . . . . 0.0 110.868 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.3 mm? -108.49 107.13 17.53 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -121.16 -72.63 0.68 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.822 0.82 . . . . 0.0 112.283 -173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.72 17.52 4.68 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.435 -172.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.454 ' HB ' ' OE2' ' A' ' 49' ' ' GLU . 2.6 pt -123.94 -169.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.427 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -101.55 -77.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.678 ' OE2' ' HA ' ' A' ' 81' ' ' THR . 8.1 mp0 56.32 -55.26 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 127.264 2.226 . . . . 0.0 116.706 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -50.15 -37.57 35.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -169.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -76.66 -49.69 15.53 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.807 0.813 . . . . 0.0 109.849 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.413 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 23.2 t -72.27 -40.58 65.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.709 -171.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 57' ' ' MET . 57.2 t -55.28 -42.19 65.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 123.145 0.578 . . . . 0.0 111.216 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.92 -43.45 88.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.35 -36.97 85.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.717 0.77 . . . . 0.0 109.747 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 4.2 t -63.03 -46.59 95.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.533 0 C-N-CA 124.535 1.134 . . . . 0.0 110.922 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 0.0 110.768 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.15 -60.35 2.69 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 p -61.93 -40.21 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.4 tp -52.09 -46.78 65.36 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.552 0.741 . . . . 0.0 110.556 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -42.26 20.78 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.826 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -61.55 -36.29 80.17 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.944 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.82 -46.18 89.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.841 0.353 . . . . 0.0 110.162 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.33 -99.24 1.09 Allowed Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.035 -1.078 . . . . 0.0 114.225 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.5 -71.61 0.42 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.17 0.51 . . . . 0.0 109.809 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.91 62.77 5.93 Favored Glycine 0 N--CA 1.415 -2.74 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.46 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -53.62 99.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.929 0.871 . . . . 0.0 111.442 173.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.684 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 48.3 t -62.71 129.08 38.91 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.35 -165.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -109.12 167.06 10.38 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.614 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 73' ' ' PHE . 22.4 p90 -54.55 -29.44 50.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.218 1.007 . . . . 0.0 111.73 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.26 -39.4 94.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.856 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.684 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 44.1 mt-10 -72.43 -33.01 66.78 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 70' ' ' PHE . 24.1 m-85 -53.91 -56.45 17.67 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.462 ' SD ' ' HB2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.45 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.52 -56.73 18.39 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.465 -177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -63.81 -45.28 90.32 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 73' ' ' PHE . 9.6 p -68.92 -43.21 82.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.12 67.97 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.816 -0.552 . . . . 0.0 111.98 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 26.0 ptt? -82.62 -24.02 34.03 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.305 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 33.9 m -77.85 -43.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.774 176.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.678 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 85.5 m -79.79 -44.47 20.57 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.545 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -109.23 -82.55 0.56 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.139 -0.624 . . . . 0.0 112.285 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.46 -168.04 0.06 Allowed 'General case' 0 C--O 1.258 1.547 0 C-N-CA 123.918 0.887 . . . . 0.0 112.483 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.3 m 66.17 -63.85 0.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.983 1.713 . . . . 0.0 114.87 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 56.2 m80 -132.98 -1.41 3.31 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 122.069 -0.394 . . . . 0.0 110.87 -176.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 -98.62 0.05 OUTLIER 'General case' 0 C--O 1.254 1.329 0 C-N-CA 124.835 1.254 . . . . 0.0 113.479 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 97.6 m-85 -89.47 85.09 6.45 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 69.8 t80 160.39 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 104.283 -2.488 . . . . 0.0 104.283 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 85' ' ' HIS . 11.8 tp10 -78.12 -57.13 3.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.021 -1.445 . . . . 0.0 107.343 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -106.34 -61.57 1.5 Allowed 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 173.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 -168.53 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 19.1 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 120.562 0.22 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -73.84 -52.45 12.99 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.505 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.49 -41.29 98.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.016 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 37.7 tt0 -48.22 -57.9 5.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.423 1.489 . . . . 0.0 110.735 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -53.68 -45.75 70.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.908 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.64 -47.98 76.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.498 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.19 -45.85 92.9 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.619 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.55 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.05 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -60.46 -36.85 79.24 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' HG12 ' B' ' 13' ' ' VAL . 98.6 mt -65.31 -49.7 68.47 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.071 0.462 . . . . 0.0 111.311 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 pt -73.25 -34.06 43.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 33.6 t70 -70.66 -29.23 65.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.517 HG12 ' O ' ' B' ' 10' ' ' LEU . 7.3 p -66.42 -44.72 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.191 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.647 ' CG ' ' HG ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -90.85 18.56 6.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.435 1.112 . . . . 0.0 112.109 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 20.8 t60 -93.61 -39.96 10.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 168.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.83 -44.68 20.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.151 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.491 ' O ' ' HD1' ' B' ' 14' ' ' PHE . 81.6 m-85 -91.72 126.59 36.85 Favored 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 t -159.4 164.52 34.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' B' ' 23' ' ' ASP . . . -84.1 -167.05 41.76 Favored Glycine 0 CA--C 1.487 -1.683 0 CA-C-O 121.719 0.621 . . . . 0.0 113.712 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.448 ' H ' ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -111.22 -34.82 6.05 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.82 -0.69 . . . . 0.0 111.271 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.81 -80.39 0.44 Allowed 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.74 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.77 59.69 Favored Glycine 0 CA--C 1.493 -1.312 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.53 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.525 ' CG ' ' HA3' ' B' ' 19' ' ' GLY . 17.3 p-10 -91.76 1.29 57.26 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.052 0.941 . . . . 0.0 109.414 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -91.65 -35.7 14.06 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -71.81 -55.53 7.41 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 54.2 mtpt -136.1 139.14 42.75 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.647 ' HG ' ' CG ' ' B' ' 14' ' ' PHE . 2.7 mm? -66.12 -26.07 67.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -163.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' B' ' 67' ' ' GLU . 71.2 mmtt 71.93 148.91 0.09 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.634 1.174 . . . . 0.0 111.291 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -62.98 -34.71 78.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -64.64 -29.85 70.86 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.014 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 35.1 mm-40 -86.14 -26.82 24.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.703 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.503 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -64.37 -22.78 67.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.32 -59.67 4.47 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 124.442 1.097 . . . . 0.0 109.404 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -54.66 -34.02 61.6 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.353 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -66.74 -55.64 14.09 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.253 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.0 pt -68.41 -33.58 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -66.9 -37.34 84.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.647 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.73 -37.84 3.07 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -97.22 -6.01 35.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 5.3 tt -67.11 -64.7 0.8 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t 177.16 152.97 0.22 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -104.44 -19.2 14.12 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.953 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -98.53 100.43 11.68 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 122.038 0.923 . . . . 0.0 110.936 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.442 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.2 mm? -109.32 105.08 14.32 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.06 -65.9 1.13 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -173.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.866 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.536 ' HB ' ' OE2' ' B' ' 49' ' ' GLU . 2.1 pt -117.23 -172.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -98.55 -78.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.664 ' OE2' ' HA ' ' B' ' 81' ' ' THR . 7.5 mp0 55.83 -53.88 0.02 OUTLIER 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 127.278 2.231 . . . . 0.0 116.348 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -47.82 -37.54 13.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.908 1.283 . . . . 0.0 113.755 -171.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.24 -49.68 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.563 0.697 . . . . 0.0 110.762 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.422 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 24.3 t -72.52 -40.61 63.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.487 -171.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' B' ' 57' ' ' MET . 78.2 t -55.73 -39.62 56.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 122.913 0.485 . . . . 0.0 111.055 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.91 -42.45 85.4 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.937 0.399 . . . . 0.0 110.705 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.6 -35.41 78.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.686 0.755 . . . . 0.0 109.563 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 4.0 t -63.86 -45.7 96.32 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 C-N-CA 124.616 1.166 . . . . 0.0 110.754 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.22 -36.05 82.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.945 0.402 . . . . 0.0 110.272 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.54 -58.46 7.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.4 p -63.24 -41.99 99.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.1 tp -52.58 -45.78 66.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.636 0.774 . . . . 0.0 110.4 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -80.25 -42.54 22.99 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.095 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.23 -38.99 93.34 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.721 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.73 -45.76 92.55 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.573 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.4 -114.69 4.35 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.273 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.71 -69.0 0.21 Allowed 'General case' 0 C--O 1.248 0.982 0 C-N-CA 123.349 0.659 . . . . 0.0 110.204 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.13 57.13 17.94 Favored Glycine 0 N--CA 1.422 -2.252 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.537 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 5.9 pt-20 -46.61 100.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.506 0.669 . . . . 0.0 110.825 174.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.642 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 45.3 t -66.0 127.43 32.05 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.334 -1.303 . . . . 0.0 113.881 -167.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -109.48 167.83 9.84 Favored 'General case' 0 CA--C 1.487 -1.468 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.312 173.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' B' ' 73' ' ' PHE . 25.5 p90 -53.35 -30.26 38.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.47 1.108 . . . . 0.0 112.335 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.39 -39.58 92.41 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.739 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.642 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 42.7 mt-10 -70.32 -33.42 71.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.092 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' B' ' 70' ' ' PHE . 25.4 m-85 -54.05 -56.74 15.14 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.45 ' SD ' ' HB2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.34 -44.07 97.8 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.453 -178.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.65 -57.29 13.64 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.355 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -62.46 -45.79 91.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.7 p -68.68 -43.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.93 67.41 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.831 -0.543 . . . . 0.0 112.014 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 26.5 ptt? -81.9 -26.32 34.22 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.334 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.422 ' HA ' ' HB ' ' B' ' 52' ' ' VAL . 33.9 m -76.25 -44.82 36.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 118.602 -1.239 . . . . 0.0 110.536 176.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.664 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . 90.2 m -78.31 -43.95 26.58 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.594 -176.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.6 m -110.69 -82.62 0.57 Allowed 'General case' 0 N--CA 1.436 -1.17 0 O-C-N 121.619 -0.676 . . . . 0.0 112.538 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.37 -168.0 0.06 Allowed 'General case' 0 C--O 1.256 1.442 0 C-N-CA 123.822 0.849 . . . . 0.0 112.527 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m 67.08 -70.38 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.263 1.425 . . . . 0.0 114.1 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.413 ' HB3' ' HB3' ' B' ' 88' ' ' PHE . 57.9 m80 -127.61 0.07 6.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.394 -0.191 . . . . 0.0 111.258 -175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 48.07 -98.22 0.04 OUTLIER 'General case' 0 C--O 1.257 1.488 0 C-N-CA 124.691 1.197 . . . . 0.0 113.708 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -89.8 77.24 7.07 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 122.017 0.913 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' B' ' 85' ' ' HIS . 62.1 t80 168.46 -34.33 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 -175.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.98 -52.46 8.78 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 113.792 -1.549 . . . . 0.0 107.85 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -111.48 -59.31 2.0 Allowed 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -167.548 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.82 0.343 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.69 -38.26 88.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.1 tm? -76.05 -38.55 57.02 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.241 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 50.0 tt0 -60.57 -36.87 79.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.757 0.789 . . . . 0.0 109.786 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.12 -53.01 51.9 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.668 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.01 92.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.678 -1.147 . . . . 0.0 113.056 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.418 ' HG3' HG22 ' B' ' 77' ' ' VAL . 14.9 tmm? -56.6 -45.73 81.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.2 -34.71 70.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.344 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.04 -52.71 58.15 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.416 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 4.5 mm? -51.66 -49.49 62.23 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.164 0.507 . . . . 0.0 111.701 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.45 HD12 ' CE1' ' B' ' 90' ' ' HIS . 36.6 pt -74.55 -48.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 13.9 t70 -72.71 -30.15 63.97 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.74 -41.51 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.49 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' HB3' ' CZ ' ' B' ' 87' ' ' PHE . 0.3 OUTLIER -81.77 -12.64 58.47 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.968 178.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.7 t60 -69.22 -42.01 76.27 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 169.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 74.3 mt-30 -70.43 -3.19 16.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.504 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CZ ' ' HA3' ' A' ' 19' ' ' GLY . 23.8 t80 -54.17 -58.42 7.43 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.489 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 p 40.61 77.52 0.05 Allowed 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.274 1.03 . . . . 0.0 113.077 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 17' ' ' TYR . . . -113.99 138.23 14.72 Favored Glycine 0 N--CA 1.424 -2.138 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.022 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -60.98 -23.22 65.2 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 123.24 0.616 . . . . 0.0 112.338 -179.14 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.94 -63.85 1.09 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.598 174.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.37 29.4 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.869 -0.605 . . . . 0.0 113.51 -174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.85 -16.05 63.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 122.007 -0.702 . . . . 0.0 111.737 -174.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -98.43 -1.11 42.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.777 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -126.74 -81.38 0.61 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.648 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HD3' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -151.04 149.33 29.42 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 100.811 -3.774 . . . . 0.0 100.811 176.329 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.47 -36.24 63.91 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 74.5 mmtt 64.04 116.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.984 1.314 . . . . 0.0 112.992 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 67' ' ' GLU 0.295 0.0 OUTLIER -68.14 -18.93 64.76 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.683 -0.636 . . . . 0.0 111.619 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.9 m -62.62 -23.53 67.11 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.215 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -85.47 -22.62 28.16 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.745 0.783 . . . . 0.0 109.815 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 3.3 tm? -63.24 -21.2 66.08 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.57 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -53.45 -52.04 60.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.855 0.836 . . . . 0.0 110.988 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.43 -22.85 65.5 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.285 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.27 -51.15 22.16 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 12.4 pt -65.25 -33.24 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.8 -30.27 71.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.368 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -99.67 -62.42 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 24.4 mm-40 -80.52 -32.92 36.73 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -172.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.758 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -74.3 -61.28 1.91 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 -173.014 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 p -90.16 92.4 8.94 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -165.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.48 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 31.7 m80 -126.44 -71.46 0.69 Allowed 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.36 -11.63 27.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.7 mm? -81.33 110.73 17.05 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -114.95 -73.69 0.64 Allowed 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -135.49 73.31 1.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -107.14 -49.84 8.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -150.77 -32.06 0.17 Allowed 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.08 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' OE1' ' HB3' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -58.07 -29.83 65.72 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.518 ' OE1' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -59.76 -27.02 66.15 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HG3' ' OE1' ' A' ' 50' ' ' GLN . 43.0 mt-10 -81.41 -59.01 2.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.641 1.21 . . . . 0.0 109.49 170.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 3.3 t -72.02 -25.36 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.852 -165.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 56' ' ' VAL . 55.3 t -57.59 -42.85 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 119.122 0.873 . . . . 0.0 111.743 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.66 -40.97 92.99 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.805 0.812 . . . . 0.0 109.81 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -71.42 -30.73 66.42 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.699 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.1 p -70.76 -34.59 57.04 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.0 mmt -66.58 -29.63 69.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.244 0.545 . . . . 0.0 109.965 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.7 -61.51 1.85 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.874 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 p -58.15 -40.88 82.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 15.8 tp -54.87 -48.34 73.09 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.073 0.949 . . . . 0.0 110.461 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.7 -33.08 21.61 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.638 -176.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.42 -42.05 92.93 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.8 -39.8 95.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.06 -103.91 0.94 Allowed Glycine 0 C--O 1.242 0.625 0 CA-C-N 114.79 -1.095 . . . . 0.0 115.081 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -86.19 106.38 17.25 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-O 121.083 0.468 . . . . 0.0 110.447 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.29 27.78 0.13 Allowed Glycine 0 C--N 1.297 -1.638 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.603 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 2.3 mp0 56.72 -179.2 0.05 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.288 1.035 . . . . 0.0 113.276 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 43.7 t -134.09 101.95 5.22 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.152 170.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 167.53 9.87 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.669 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' B' ' 84' ' ' CYS . 4.4 p90 -57.71 -26.55 61.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.754 0.822 . . . . 0.0 111.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.84 -40.8 95.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -78.79 -32.57 46.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.477 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -52.84 -54.28 36.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.556 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.655 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.6 OUTLIER -62.15 -47.03 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.495 0.497 . . . . 0.0 111.154 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.58 29.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -62.65 -47.19 84.81 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.758 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.5 p -68.41 -41.06 83.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.024 0.44 . . . . 0.0 112.169 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.75 47.85 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.974 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -78.33 -23.09 47.19 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 118.292 -1.363 . . . . 0.0 111.771 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 40' ' ' LEU . 27.0 m -75.31 -51.62 20.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.149 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.477 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.5 m -83.73 -39.48 20.05 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.596 HG22 ' SG ' ' A' ' 84' ' ' CYS . 11.9 m -98.71 -49.79 4.47 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.638 -0.664 . . . . 0.0 111.414 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.07 86.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.022 1.329 . . . . 0.0 113.369 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.596 ' SG ' HG22 ' A' ' 82' ' ' THR . 58.7 m -144.43 154.33 42.84 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -112.0 0.24 15.94 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 167.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.607 ' OE1' ' HE3' ' B' ' 26' ' ' LYS . 31.0 tt0 169.15 85.97 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.904 0 C-N-CA 128.258 2.623 . . . . 0.0 107.491 170.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.701 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 97.1 m-85 41.92 72.67 0.16 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 124.505 1.128 . . . . 0.0 112.523 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -111.35 -75.13 0.62 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.65 -169.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.21 10.84 11.26 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' HB3' HG23 ' A' ' 82' ' ' THR . 35.8 t-80 -147.11 -46.82 0.18 Allowed 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.526 175.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.701 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 37.7 tt0 . . . . . 0 N--CA 1.434 -1.265 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 -170.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.418 ' H2 ' ' CD ' ' A' ' 39' ' ' GLU . 19.5 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -39.01 66.65 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.1 tm? -74.45 -39.66 62.41 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.031 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.48 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 46.7 tt0 -57.69 -42.73 84.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.412 0.625 . . . . 0.0 109.396 177.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.15 -50.06 74.71 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.037 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.42 94.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.42 ' HG3' HG22 ' A' ' 77' ' ' VAL . 14.8 tmm? -57.54 -45.57 84.9 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.132 0.491 . . . . 0.0 110.01 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -36.22 75.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.047 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -52.9 61.25 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.477 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.655 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 4.5 mm? -51.91 -50.34 61.26 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.002 0.43 . . . . 0.0 111.812 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.404 HD12 ' CE1' ' A' ' 90' ' ' HIS . 36.4 pt -73.97 -46.48 45.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 26.9 t70 -71.95 -31.74 66.61 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.98 -41.12 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.647 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -15.51 55.09 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 117.429 -1.709 . . . . 0.0 110.84 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 10.5 t60 -66.54 -40.18 88.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 75.9 mt-30 -72.23 -7.16 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.228 176.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' B' ' 19' ' ' GLY . 23.7 t80 -51.12 -60.89 2.62 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 117.858 0.299 . . . . 0.0 110.502 175.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.5 p 45.71 72.45 0.22 Allowed 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.99 0.916 . . . . 0.0 112.643 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' B' ' 17' ' ' TYR . . . -105.69 141.09 15.33 Favored Glycine 0 N--CA 1.421 -2.346 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.929 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -63.55 -24.09 67.66 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.705 0.297 . . . . 0.0 111.572 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -96.01 -65.48 0.97 Allowed 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.448 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.63 -54.49 36.67 Favored Glycine 0 C--O 1.21 -1.355 0 O-C-N 123.539 0.524 . . . . 0.0 113.893 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' B' ' 19' ' ' GLY . 15.7 t70 -64.13 -22.26 66.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 122.102 -0.646 . . . . 0.0 111.578 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -96.15 2.02 52.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.83 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -129.55 -83.69 0.56 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.429 0.633 . . . . 0.0 110.462 177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.607 ' HE3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -150.01 147.84 28.33 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 177.702 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.408 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 4.5 mm? -53.18 -36.33 60.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -173.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 74.1 mmtt 61.65 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.937 1.295 . . . . 0.0 112.897 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HD2' ' O ' ' B' ' 67' ' ' GLU 0.291 0.0 OUTLIER -64.29 -19.27 65.3 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.665 -0.647 . . . . 0.0 112.48 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -62.69 -23.74 67.29 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 121.979 -0.451 . . . . 0.0 110.311 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.27 -22.19 28.7 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.591 0.71 . . . . 0.0 109.681 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.3 tm? -62.04 -20.89 64.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.111 0.964 . . . . 0.0 108.746 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -53.22 -51.84 60.84 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.132 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.29 -26.24 67.98 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.034 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.72 -52.58 24.22 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.46 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 13.1 pt -65.21 -34.05 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -56.58 -36.53 69.47 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.054 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -95.85 -70.38 0.72 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 32.0 mm-40 -71.02 -37.18 72.62 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -170.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.732 ' HG ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.1 -60.91 1.97 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.703 0.763 . . . . 0.0 110.989 -171.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -92.45 91.82 7.8 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.424 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 35.8 m80 -124.96 -69.15 0.81 Allowed 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -95.93 -12.42 25.11 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.7 mm? -81.31 112.71 18.86 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 171.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.54 -73.28 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -171.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -135.57 80.68 1.85 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.9 mt -114.36 -52.8 4.98 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -149.66 -30.03 0.24 Allowed 'General case' 0 C--O 1.245 0.821 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.019 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HB2' HG23 ' B' ' 53' ' ' VAL . 0.8 OUTLIER -60.07 -29.77 68.78 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.061 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . 0.252 0.0 OUTLIER -61.4 -27.0 68.22 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.914 -0.714 . . . . 0.0 112.438 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.77 -55.93 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.289 1.042 . . . . 0.0 109.64 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 3.3 t -73.59 -25.12 20.55 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -166.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.64 ' O ' HG12 ' B' ' 56' ' ' VAL . 54.7 t -57.51 -42.7 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 119.057 0.844 . . . . 0.0 112.088 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.8 -35.44 78.65 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -74.34 -30.46 62.04 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.549 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 53' ' ' VAL . 2.6 p -69.43 -34.57 62.82 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.866 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -67.83 -29.9 69.17 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.256 0.55 . . . . 0.0 109.945 178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.94 -61.32 1.85 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.184 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -58.39 -41.33 84.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 15.3 tp -55.19 -42.77 73.67 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 124.213 1.005 . . . . 0.0 110.708 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -89.0 -36.38 15.86 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.731 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.58 -40.88 96.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.249 0.62 . . . . 0.0 110.713 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.1 -43.53 91.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 -106.68 1.9 Allowed Glycine 0 CA--C 1.505 -0.547 0 CA-C-N 114.936 -1.029 . . . . 0.0 114.785 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.91 105.14 17.24 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.437 0.637 . . . . 0.0 110.508 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.59 29.04 0.2 Allowed Glycine 0 C--N 1.296 -1.669 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.619 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 2.1 mp0 56.81 177.78 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.723 1.209 . . . . 0.0 113.62 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.573 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 47.3 t -132.28 101.6 5.43 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.038 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -109.44 168.0 9.72 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -57.29 -26.78 61.4 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.693 0.797 . . . . 0.0 112.147 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -64.83 -40.66 95.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.75 -32.95 46.87 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.443 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.648 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.7 -54.68 30.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.455 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.555 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.26 -47.43 86.07 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.556 0.535 . . . . 0.0 111.289 176.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.25 -54.43 43.55 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -63.76 -47.34 81.39 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.732 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.6 p -68.15 -41.06 83.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.15 47.99 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.076 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -77.64 -23.41 49.74 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 117.875 -1.53 . . . . 0.0 111.583 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.458 HG21 HD11 ' B' ' 40' ' ' LEU . 32.3 m -75.45 -51.58 20.62 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.488 0 C-N-CA 118.641 -1.224 . . . . 0.0 111.638 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.25 -37.59 21.56 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.613 HG22 ' SG ' ' B' ' 84' ' ' CYS . 10.8 m -99.33 -50.99 3.93 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.653 -0.654 . . . . 0.0 111.356 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.65 88.78 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.904 1.282 . . . . 0.0 113.342 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.613 ' SG ' HG22 ' B' ' 82' ' ' THR . 57.2 m -148.3 152.54 37.27 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.129 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -110.46 -1.84 16.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 166.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.556 ' OE1' ' HE3' ' A' ' 26' ' ' LYS . 30.3 tt0 172.47 85.66 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 128.284 2.634 . . . . 0.0 107.551 171.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.677 ' HB3' ' HA ' ' B' ' 91' ' ' GLU . 95.9 m-85 42.73 71.19 0.24 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 124.319 1.012 . . . . 0.0 112.586 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 50.0 t80 -108.03 -74.56 0.65 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.919 -170.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.422 ' HG3' ' CD2' ' B' ' 88' ' ' PHE . 41.9 mt-10 -86.59 6.49 30.58 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -175.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.466 ' HB3' HG23 ' B' ' 82' ' ' THR . 40.3 t-80 -138.83 -47.4 0.49 Allowed 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.748 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.677 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 35.5 tt0 . . . . . 0 N--CA 1.438 -1.04 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 -169.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.425 ' HB3' ' OE2' ' B' ' 39' ' ' GLU . 4.7 m . . . . . 0 N--CA 1.438 -1.06 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 2.5 tp10 -68.66 -37.25 79.49 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.158 0.504 . . . . 0.0 110.13 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 3' ' ' LEU . 2.3 tm? -73.51 -34.62 65.36 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.128 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 8' ' ' VAL . 54.4 mt-10 -56.32 -40.27 74.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.888 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 46.1 pttt -71.61 -25.16 62.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.944 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.75 85.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.476 ' HE1' HG21 ' B' ' 81' ' ' THR . 10.6 tmm? -65.18 -40.2 93.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.649 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' GLU . 95.8 t -60.36 -43.87 94.74 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.672 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.058 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.81 77.58 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.971 0.508 . . . . 0.0 111.642 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.523 HD13 ' SD ' ' B' ' 74' ' ' MET . 34.3 mt -60.22 -42.74 95.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.411 0.684 . . . . 0.0 111.212 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.4 pt -82.37 -24.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 120.625 -1.297 . . . . 0.0 112.074 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.563 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 11.2 t70 -79.67 -50.88 9.97 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.58 -35.77 65.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.856 0.36 . . . . 0.0 110.089 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -62.62 -46.53 87.83 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.551 175.137 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 12' ' ' ASP . 2.0 p-80 -65.02 -27.41 68.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 119.621 -0.832 . . . . 0.0 113.065 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.2 mt-30 -65.91 -43.33 88.46 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.032 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.65 -26.22 15.28 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -72.52 151.5 42.43 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -72.7 93.12 0.63 Allowed Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -54.33 -35.5 62.76 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 37.5 tt0 -95.2 -75.95 0.51 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -35.32 74.78 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.563 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' HA3' ' A' ' 19' ' ' GLY . 5.5 m-20 -91.74 14.17 16.08 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.976 0.417 . . . . 0.0 112.064 -173.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 60.99 27.29 17.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.573 0.749 . . . . 0.0 112.666 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' B' ' 87' ' ' PHE . 3.3 t-160 72.67 14.19 5.12 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.568 0.747 . . . . 0.0 111.193 173.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.83 154.73 24.68 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 120.895 -1.128 . . . . 0.0 111.037 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -71.64 -39.12 70.58 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -166.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HE3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 72.6 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.365 1.066 . . . . 0.0 109.705 -169.61 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.1 mtpt -68.94 -30.39 68.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.935 -174.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -63.84 -32.36 73.85 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.029 0.443 . . . . 0.0 110.085 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.43 -18.62 33.09 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.46 -24.54 67.5 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.831 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB2' HD23 ' A' ' 60' ' ' LEU . 4.6 tmmm? -55.68 -54.32 45.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.939 175.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 -33.14 75.32 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.048 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HG ' HD13 ' A' ' 40' ' ' LEU . 33.9 tp -69.99 -42.67 72.78 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.322 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 10.1 pt -65.05 -42.32 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.19 -22.82 66.21 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.066 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -99.39 -68.72 0.79 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -101.37 -21.13 14.91 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -165.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.2 mp -99.87 -22.78 15.17 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.336 -175.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.7 m -143.49 89.85 2.11 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.397 0.617 . . . . 0.0 110.48 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -115.0 -39.4 3.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.404 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -90.17 -3.52 57.82 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.06 92.37 5.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.747 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.05 -18.95 15.37 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.063 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 11.6 pt-20 -147.88 -153.02 0.47 Allowed 'General case' 0 N--CA 1.416 -2.151 0 C-N-CA 124.074 0.949 . . . . 0.0 108.914 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.438 HG22 ' HG2' ' A' ' 48' ' ' LYS . 67.3 mt 92.36 -87.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.45 1.5 . . . . 0.0 111.603 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 82' ' ' THR . 29.8 mmmt -137.5 6.35 2.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.471 0.653 . . . . 0.0 111.674 -176.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -62.18 -47.67 83.46 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -173.288 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -59.46 -32.13 69.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.306 0.503 . . . . 0.0 111.963 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.62 -56.26 4.12 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.657 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.02 -45.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 57' ' ' MET . 79.3 t -57.25 -40.5 74.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 C-N-CA 122.46 0.304 . . . . 0.0 111.593 -176.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.92 -41.31 87.29 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.017 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.41 -34.59 78.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.796 0.808 . . . . 0.0 110.03 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.02 -46.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 124.348 1.059 . . . . 0.0 110.368 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.8 mmt -67.03 -27.56 67.51 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.557 0.694 . . . . 0.0 110.374 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.25 -59.4 3.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.944 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 14.0 p -64.01 -40.75 97.03 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 6.8 mp -56.6 -29.92 62.66 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -101.08 -46.32 5.11 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.255 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.35 -51.82 22.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.153 -176.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' A' ' 59' ' ' THR . 15.5 t70 -73.12 -64.19 1.02 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.43 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.08 -49.57 2.57 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 113.022 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 69.1 -50.66 0.6 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.614 2.366 . . . . 0.0 112.564 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.98 -24.99 5.61 Favored Glycine 0 C--N 1.299 -1.501 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.68 -178.62 6.55 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.574 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 12.1 t -143.45 135.11 26.39 Favored 'General case' 0 CA--C 1.481 -1.709 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 173.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -108.7 167.74 9.84 Favored 'General case' 0 C--N 1.282 -2.357 0 O-C-N 124.001 0.813 . . . . 0.0 109.517 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.433 ' CE1' ' HB1' ' B' ' 78' ' ' ALA . 12.9 p90 -64.87 -24.03 67.41 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.147 0.499 . . . . 0.0 110.243 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.05 -38.75 92.19 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.685 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 52.4 mt-10 -79.28 -31.79 43.43 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -53.7 -46.66 70.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 175.597 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.497 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.79 -53.94 33.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.457 174.675 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -50.79 -51.68 48.35 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 123.923 0.764 . . . . 0.0 112.972 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.485 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 71.0 m-85 -66.93 -44.86 79.58 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.459 ' HB ' HD23 ' A' ' 40' ' ' LEU . 10.9 p -70.06 -33.15 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.015 0.436 . . . . 0.0 111.102 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' B' ' 70' ' ' PHE . . . -75.22 -32.0 61.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.458 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 83' ' ' ALA 0.256 25.6 ptt? -84.79 -30.0 24.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.345 -1.342 . . . . 0.0 113.23 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.5 m -71.06 -39.22 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.421 HG21 ' HE1' ' B' ' 7' ' ' MET . 13.6 m -85.24 -25.13 27.48 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.069 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 61.9 m -136.78 -101.17 0.2 Allowed 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 121.705 -0.622 . . . . 0.0 112.462 -177.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 79' ' ' MET . . . 51.61 176.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.93 0.892 . . . . 0.0 112.675 -174.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.6 m 64.84 -50.9 0.33 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.811 1.645 . . . . 0.0 115.101 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 28.7 m80 -129.64 72.93 1.49 Allowed 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.06 122.65 17.07 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.597 -175.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.521 ' HB3' ' CD2' ' B' ' 25' ' ' HIS . 87.7 m-85 72.28 -2.13 2.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.626 1.17 . . . . 0.0 112.512 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -107.05 -32.99 7.61 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.833 0.349 . . . . 0.0 110.181 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 85' ' ' HIS . 9.0 tp10 -67.31 -31.62 72.04 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.967 0.889 . . . . 0.0 108.795 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -115.86 -88.0 0.59 Allowed 'General case' 0 N--CA 1.422 -1.825 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OXT' ' HB3' ' B' ' 15' ' ' HIS . 10.5 pt-20 . . . . . 0 C--O 1.259 1.582 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.243 0.718 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.3 tp10 -74.61 -35.39 62.94 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.318 0.58 . . . . 0.0 109.929 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.441 HD13 ' O ' ' B' ' 3' ' ' LEU . 2.4 tm? -75.36 -33.95 61.12 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.481 ' O ' HG23 ' B' ' 8' ' ' VAL . 52.7 mt-10 -56.64 -40.26 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 46.7 pttt -71.7 -25.72 62.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.757 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.89 87.73 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.421 ' HE1' HG21 ' A' ' 81' ' ' THR . 10.2 tmm? -65.18 -39.92 93.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.596 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 4' ' ' GLU . 95.8 t -61.23 -42.73 94.56 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.736 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.084 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.67 82.04 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.842 0.457 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.497 HD13 ' SD ' ' A' ' 74' ' ' MET . 35.1 mt -60.57 -43.41 97.34 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.489 0.716 . . . . 0.0 110.865 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 pt -81.15 -24.43 10.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 O-C-N 120.608 -1.308 . . . . 0.0 111.877 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 25.6 t70 -77.27 -52.28 9.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.87 -35.68 66.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-O 120.959 0.409 . . . . 0.0 110.276 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -62.56 -48.52 79.13 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.813 175.059 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.639 ' CE1' ' HA ' ' B' ' 12' ' ' ASP . 2.2 p-80 -63.6 -29.0 70.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.983 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 78.2 mt-30 -62.34 -51.05 69.15 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.662 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -89.9 -30.3 17.96 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.985 -169.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 46.5 m -67.58 151.06 47.96 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.2 92.22 0.48 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -57.03 -33.06 66.82 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.244 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' B' ' 20' ' ' ARG . 43.9 tt0 -95.14 -77.56 0.47 Allowed 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.22 76.85 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 121.191 -0.528 . . . . 0.0 114.397 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.78 15.84 9.05 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 59.44 27.41 16.54 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.521 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 3.5 t60 73.1 10.97 5.19 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.869 0.868 . . . . 0.0 111.499 173.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -109.2 156.18 20.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.018 -1.051 . . . . 0.0 111.433 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -72.62 -40.28 66.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -167.511 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HE3' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER 72.92 131.65 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.608 1.163 . . . . 0.0 109.876 -169.684 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.605 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 49.2 mtpt -65.56 -28.88 69.47 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.193 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.9 t -66.41 -34.33 77.71 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 121.318 0.58 . . . . 0.0 110.695 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.13 -18.7 41.95 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.606 -0.684 . . . . 0.0 110.579 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.4 tm? -63.77 -24.96 67.97 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.219 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.467 ' HB2' HD23 ' B' ' 60' ' ' LEU . 3.9 tmmm? -56.25 -52.71 63.46 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.964 0.887 . . . . 0.0 111.379 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.84 -34.42 77.77 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.317 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' B' ' 40' ' ' LEU . 32.4 tp -67.78 -42.1 82.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.447 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 10.3 pt -66.22 -43.01 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -63.25 -21.38 66.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.39 0.614 . . . . 0.0 111.877 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -99.73 -69.36 0.77 Allowed 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.425 ' OE2' ' HB3' ' A' ' 1' ' ' SER . 16.8 tp10 -101.15 -24.14 14.33 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -166.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.3 mp -97.67 -21.72 16.86 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.416 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.7 m -144.47 90.42 2.09 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.455 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -113.97 -40.45 3.73 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -88.65 -4.5 58.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.057 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.6 92.17 5.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.772 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.47 -11.78 16.87 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.228 0.537 . . . . 0.0 110.324 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 12.6 pt-20 -150.61 -153.52 0.49 Allowed 'General case' 0 N--CA 1.42 -1.963 0 C-N-CA 124.407 1.083 . . . . 0.0 108.409 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.445 HG22 ' HG2' ' B' ' 48' ' ' LYS . 75.3 mt 87.18 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.177 1.391 . . . . 0.0 111.279 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' B' ' 82' ' ' THR . 29.8 mmmt -137.34 4.98 2.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 46' ' ' GLU 0.254 0.0 OUTLIER -62.77 -47.17 84.67 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.315 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -56.17 -34.26 66.02 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.275 0.489 . . . . 0.0 112.232 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -81.74 -57.37 3.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.55 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.01 -45.98 79.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.3 t -56.11 -40.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.04 -43.11 88.5 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.602 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -63.33 -35.73 81.35 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.794 0.807 . . . . 0.0 109.713 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.73 -47.31 86.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.417 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -66.03 -28.6 68.98 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.431 0.634 . . . . 0.0 110.257 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.04 -57.06 6.74 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.475 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' B' ' 63' ' ' ASP . 13.7 p -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 6.6 mp -56.03 -31.77 63.43 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -95.72 -50.58 4.87 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.288 0.566 . . . . 0.0 112.14 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.24 -48.68 40.96 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.046 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 59' ' ' THR . 32.4 t70 -76.17 -62.08 1.73 Allowed 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.37 -52.25 1.82 Allowed Glycine 0 CA--C 1.525 0.657 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.585 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 69.44 -46.99 0.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.953 2.501 . . . . 0.0 112.569 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.79 -14.08 10.62 Favored Glycine 0 C--N 1.299 -1.499 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 12.1 pt-20 -157.39 -179.03 7.8 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.573 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.0 t -145.84 133.13 20.57 Favored 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 172.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -106.5 166.41 10.57 Favored 'General case' 0 C--N 1.283 -2.292 0 O-C-N 124.155 0.909 . . . . 0.0 109.63 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 78' ' ' ALA . 13.0 p90 -63.82 -24.07 67.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.246 0.546 . . . . 0.0 110.499 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.877 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.573 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 49.7 mt-10 -78.43 -31.24 48.05 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -54.39 -46.6 73.11 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.447 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.59 -53.79 36.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.342 174.686 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -49.9 -54.24 20.9 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.964 0.79 . . . . 0.0 112.773 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 74.1 m-85 -65.7 -42.83 90.69 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.445 ' HB ' HD23 ' B' ' 40' ' ' LEU . 10.5 p -71.97 -32.71 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 120.998 0.428 . . . . 0.0 110.935 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 70' ' ' PHE . . . -74.87 -33.92 62.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.317 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 75' ' ' ALA 0.267 25.5 ptt? -82.9 -31.34 27.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.542 -1.263 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.83 -39.33 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.541 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.476 HG21 ' HE1' ' A' ' 7' ' ' MET . 11.0 m -85.23 -24.21 27.92 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.99 -177.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 60.1 m -138.3 -102.06 0.18 Allowed 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 121.555 -0.716 . . . . 0.0 112.716 -176.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' B' ' 79' ' ' MET . . . 51.58 173.94 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.05 0.94 . . . . 0.0 112.919 -173.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.1 m 66.6 -52.81 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.215 1.406 . . . . 0.0 114.694 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -127.71 70.41 1.33 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 0.9 OUTLIER -62.08 121.86 14.1 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.893 -175.326 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.504 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 87.4 m-85 72.58 -6.26 1.65 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.746 1.218 . . . . 0.0 112.127 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -103.02 -31.47 10.19 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.939 0.4 . . . . 0.0 110.223 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.36 -40.03 81.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -106.73 -89.67 0.44 Allowed 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -177.874 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 120.532 0.206 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.27 -33.52 73.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.388 0.675 . . . . 0.0 110.325 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.464 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 3.1 tm? -69.86 -32.58 71.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.86 -52.22 66.0 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.262 0.351 . . . . 0.0 111.188 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.411 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.598 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -82.1 -63.38 1.39 Allowed 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -58.92 -41.11 86.5 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.507 0.504 . . . . 0.0 110.944 -171.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.51 -38.99 82.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.78 94.04 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.6 mp -64.58 -51.5 62.44 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.958 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -71.02 -31.73 46.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-O 121.143 0.496 . . . . 0.0 112.0 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.0 -22.42 31.37 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 10' ' ' LEU . 8.6 p -65.97 -33.16 61.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.61 177.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 69' ' ' ASP . 63.1 m-85 -66.22 -29.35 69.59 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-O 121.46 0.647 . . . . 0.0 110.598 173.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -76.37 -48.52 19.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.164 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.85 -44.93 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.716 0.806 . . . . 0.0 110.514 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -84.98 80.23 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.021 0.915 . . . . 0.0 108.896 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -75.64 104.82 6.37 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.5 162.49 47.55 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.945 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -32.77 72.25 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.907 0.86 . . . . 0.0 108.771 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 65.4 tt0 -115.91 -19.74 10.28 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.145 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -59.71 -51.9 56.25 Favored Glycine 0 CA--C 1.499 -0.915 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 173.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.9 81.28 8.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.8 tmtt? -176.57 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 125.601 1.56 . . . . 0.0 106.844 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -176.32 79.45 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 10.5 mmpt? 63.5 174.75 0.16 Allowed 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.881 1.272 . . . . 0.0 113.453 176.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -110.57 138.43 46.97 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.011 -0.431 . . . . 0.0 112.115 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.78 150.62 1.4 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.602 1.161 . . . . 0.0 111.979 172.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 82.2 mttt -68.27 -30.19 69.15 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.882 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.6 m -62.89 -30.57 71.63 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.19 -30.81 58.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.29 -29.15 70.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.295 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.9 tmmt? -56.75 -50.44 72.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.998 0.904 . . . . 0.0 111.476 176.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.33 -22.81 61.87 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -75.02 -47.33 29.57 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 HD12 ' A' ' 40' ' ' LEU . 14.8 pt -63.99 -32.18 56.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 CA-C-O 121.947 0.88 . . . . 0.0 111.979 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.11 -41.46 79.0 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.599 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -93.45 -61.69 1.51 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.215 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' B' ' 3' ' ' LEU . 10.1 tp10 -106.24 73.46 0.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.957 0.884 . . . . 0.0 110.879 -172.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 77' ' ' VAL . 5.1 tt -175.42 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.1 m -58.95 96.28 0.03 OUTLIER 'General case' 0 C--O 1.242 0.693 0 O-C-N 124.709 1.256 . . . . 0.0 109.644 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -159.44 119.39 3.03 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 60.52 53.52 4.12 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.6 mt -81.36 85.02 6.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -94.32 -52.79 4.19 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.37 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.73 -47.72 81.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.517 -1.22 . . . . 0.0 111.23 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.448 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 47.5 mm 66.12 71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.375 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -144.79 10.77 1.38 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.482 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -89.3 -15.26 33.88 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.555 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -48.57 -29.97 4.82 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.631 1.572 . . . . 0.0 111.69 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.45 -58.8 3.03 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 HG12 ' A' ' 80' ' ' VAL . 47.1 t -72.02 -31.61 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.175 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 56' ' ' VAL . 75.4 t -68.23 -39.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 122.036 -0.415 . . . . 0.0 111.379 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.63 -37.5 84.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.148 0.975 . . . . 0.0 108.888 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -27.11 61.5 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.537 -1.211 . . . . 0.0 112.59 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.3 p -70.4 -36.57 67.23 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -67.84 -40.24 83.74 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.54 -58.47 8.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.31 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -64.85 -42.79 94.6 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 18.3 tp -53.29 -46.17 69.22 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.922 0.764 . . . . 0.0 110.87 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.05 -41.86 21.97 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.578 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.52 -43.12 93.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.767 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.46 -77.42 0.15 Allowed 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.978 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.05 32.9 5.03 Favored Glycine 0 N--CA 1.475 1.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 114.285 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.01 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.63 64.61 0.54 Allowed Glycine 0 CA--C 1.465 -3.089 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 63.17 178.73 0.15 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 126.096 1.758 . . . . 0.0 110.457 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 13.9 p -148.64 156.04 41.86 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 15.9 t70 -160.43 -144.31 0.11 Allowed 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' B' ' 78' ' ' ALA . 48.1 p90 -40.57 -50.2 2.97 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.582 1.953 . . . . 0.0 115.596 -172.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.51 -54.48 39.3 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.675 0.75 . . . . 0.0 110.669 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.37 -33.1 61.02 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.477 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.585 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.4 t80 -54.63 -56.88 14.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.517 ' SD ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -58.1 -40.59 81.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.577 -178.381 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.2 69.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.456 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -64.95 -48.2 74.9 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.609 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.3 p -65.89 -50.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -22.96 65.1 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.439 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.657 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 24.4 ptt? -80.38 -38.12 30.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.379 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG12 HG12 ' A' ' 52' ' ' VAL . 33.0 m -73.88 -34.56 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.242 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -84.58 -43.67 14.25 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -110.78 -49.56 3.03 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 79' ' ' MET . . . -65.05 -7.52 12.38 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 49' ' ' GLU . 85.3 m -61.33 -22.25 64.74 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.587 0.708 . . . . 0.0 109.879 172.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.0 27.92 3.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.223 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 65.0 -85.08 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.282 1.433 . . . . 0.0 112.802 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.93 -39.09 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.417 0 CA-C-O 117.936 -1.031 . . . . 0.0 111.368 -172.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -33.19 -38.37 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -171.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -62.97 -31.51 72.63 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.708 0.766 . . . . 0.0 110.394 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -110.36 -62.2 1.55 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 . . . . . 0 C--O 1.256 1.402 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.534 -174.245 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 109.52 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 3.1 tm? -70.83 -34.83 72.1 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.781 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.83 -46.69 87.09 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -69.62 -29.6 67.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.113 0.483 . . . . 0.0 110.189 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.602 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -81.97 -63.65 1.34 Allowed 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -58.3 -40.61 82.45 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.421 0.451 . . . . 0.0 111.032 -171.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -66.97 -39.9 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.667 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.61 90.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.602 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.6 mp -66.8 -52.01 49.02 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.96 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 45.0 pt -70.51 -31.77 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.147 0.498 . . . . 0.0 111.893 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.66 -22.7 32.06 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.531 HG12 ' O ' ' B' ' 10' ' ' LEU . 10.0 p -66.26 -33.1 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.603 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -65.93 -29.52 69.95 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.502 0.668 . . . . 0.0 110.626 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -76.43 -48.96 17.94 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.658 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -52.24 -43.11 64.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.444 1.097 . . . . 0.0 111.256 176.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -89.78 79.99 6.61 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.0 m -72.52 124.53 25.41 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.837 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.25 163.76 21.13 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.143 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -73.34 -28.77 62.24 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 122.139 0.971 . . . . 0.0 108.881 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' B' ' 24' ' ' LYS . 38.7 tt0 -117.7 -21.78 8.33 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.11 -1.404 . . . . 0.0 108.271 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 26' ' ' LYS . . . -59.02 -48.85 83.91 Favored Glycine 0 C--N 1.343 0.922 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 172.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.04 79.63 9.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' B' ' 21' ' ' GLU . 13.5 tmtt? -174.62 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -175.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -174.37 78.02 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.321 173.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 10.7 mmpt? 64.0 174.89 0.18 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 125.142 1.377 . . . . 0.0 113.233 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.8 134.47 52.0 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -173.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -45.95 148.61 0.78 Allowed 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 125.171 1.389 . . . . 0.0 112.059 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 83.8 mttt -67.04 -29.65 69.51 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.344 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.3 m -63.62 -28.53 69.98 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.429 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.24 -31.73 49.35 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.421 0.629 . . . . 0.0 109.706 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -29.33 70.08 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.048 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -57.36 -48.2 79.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.842 0.857 . . . . 0.0 111.756 175.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.48 -25.56 60.51 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.285 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.29 -47.86 46.76 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.699 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.543 HG22 HD12 ' B' ' 40' ' ' LEU . 16.3 pt -63.62 -32.99 58.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 121.903 0.859 . . . . 0.0 112.048 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.04 -38.25 72.94 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.063 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -97.49 -63.58 1.12 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.361 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 3' ' ' LEU . 10.8 tp10 -103.12 73.16 1.21 Allowed 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.972 0.892 . . . . 0.0 110.257 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HG23 ' B' ' 77' ' ' VAL . 5.3 tt -177.61 -52.1 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -60.25 95.29 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.668 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -159.69 116.96 2.63 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.07 -174.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 61.62 51.8 3.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.81 86.65 5.96 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.29 -46.6 5.22 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.223 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.71 -40.15 94.02 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.035 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.441 ' HA ' ' OE1' ' B' ' 49' ' ' GLU . 44.3 mm 57.87 70.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-O 122.742 1.258 . . . . 0.0 111.582 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -146.55 10.94 1.11 Allowed 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 113.53 -1.668 . . . . 0.0 108.524 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -88.88 -17.68 29.13 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 113.787 -1.552 . . . . 0.0 107.386 -179.343 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -45.35 -35.95 3.88 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.674 1.59 . . . . 0.0 111.636 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -74.78 -56.14 5.1 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.184 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.496 HG12 HG12 ' B' ' 80' ' ' VAL . 53.7 t -73.1 -32.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.039 -173.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.656 ' O ' HG12 ' B' ' 56' ' ' VAL . 72.0 t -67.79 -39.86 82.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 122.778 0.431 . . . . 0.0 111.26 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.35 -36.41 82.81 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.288 1.042 . . . . 0.0 108.771 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -75.36 -25.26 57.58 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.522 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.656 HG12 ' O ' ' B' ' 53' ' ' VAL . 1.1 p -72.11 -36.18 55.8 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.898 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -67.14 -40.33 86.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -61.0 2.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.236 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.3 p -61.77 -42.84 99.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 19.2 tp -52.52 -47.96 66.32 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 124.002 0.814 . . . . 0.0 110.976 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.8 -43.22 22.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.541 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.72 -39.39 84.5 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.16 -77.62 0.19 Allowed 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.98 37.46 5.51 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 123.375 0.422 . . . . 0.0 113.951 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.05 -72.91 0.07 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.09 65.35 0.4 Allowed Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 64.36 178.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.92 1.688 . . . . 0.0 110.462 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 15.2 p -149.04 156.23 41.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.41 ' OD2' ' HD1' ' B' ' 70' ' ' PHE . 13.0 t70 -158.06 -145.97 0.15 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.41 ' HD1' ' OD2' ' B' ' 69' ' ' ASP . 54.5 p90 -40.6 -47.55 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.69 -58.36 7.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.585 0.707 . . . . 0.0 110.118 -174.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.55 -32.32 65.98 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.268 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.615 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.9 t80 -55.18 -56.91 14.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.501 ' SD ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -57.99 -42.12 84.46 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.143 0.902 . . . . 0.0 111.299 -178.53 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -51.99 66.1 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.407 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -63.82 -48.92 74.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.239 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.616 HG23 ' HG ' ' B' ' 40' ' ' LEU . 6.9 p -64.79 -51.8 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . . . -68.38 -22.62 64.63 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.567 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.687 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 24.5 ptt? -80.18 -37.68 32.8 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 118.344 -1.342 . . . . 0.0 111.201 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.496 HG12 HG12 ' B' ' 52' ' ' VAL . 31.8 m -73.78 -34.3 40.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.292 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 -47.15 10.98 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.922 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -108.18 -47.24 3.58 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -172.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' B' ' 79' ' ' MET . . . -67.13 -3.72 8.27 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -173.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' B' ' 49' ' ' GLU . 77.8 m -67.92 -14.49 63.0 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.694 0.759 . . . . 0.0 109.584 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -140.59 28.47 1.99 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.491 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 62.85 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.281 -1.327 . . . . 0.0 113.674 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -175.63 -38.28 0.01 OUTLIER 'General case' 0 C--O 1.181 -2.544 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.187 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -33.72 -39.78 0.07 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 117.181 2.289 . . . . 0.0 117.181 -171.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -61.63 -32.91 73.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.504 0.669 . . . . 0.0 110.224 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -108.57 -61.51 1.59 Allowed 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.191 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.494 ' OE2' ' HE3' ' A' ' 26' ' ' LYS . 14.3 tp10 . . . . . 0 C--N 1.356 0.876 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -173.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 33.9 m . . . . . 0 C--O 1.243 0.717 0 CA-C-O 121.541 0.686 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 7.2 tp10 -82.7 -38.66 23.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.45 HD11 ' CE1' ' B' ' 73' ' ' PHE . 3.9 mm? -66.8 -27.7 67.78 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.25 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' HB3' ' O ' ' A' ' 1' ' ' SER . 39.2 tt0 -55.03 -60.21 3.68 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.432 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 16.2 ptpt -63.79 -29.89 71.04 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.223 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.73 -49.95 34.68 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -68.91 -42.16 77.21 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.46 -34.24 67.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.548 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.87 80.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.444 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.52 -41.3 85.15 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.692 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 pt -82.89 -39.4 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 119.821 -0.752 . . . . 0.0 112.904 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.95 -40.15 68.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.919 -0.488 . . . . 0.0 111.256 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.15 -32.2 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 121.27 0.557 . . . . 0.0 109.524 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.08 -42.48 99.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.054 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' HB2' ' OXT' ' B' ' 91' ' ' GLU . 69.2 t60 -60.63 -44.0 96.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.17 175.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -52.53 -26.63 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -87.26 90.05 8.22 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 126.72 52.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.678 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -84.96 162.04 36.77 Favored Glycine 0 N--CA 1.425 -2.037 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.52 68.59 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 117.231 0.516 . . . . 0.0 109.804 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -156.44 -70.45 0.11 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.565 1.146 . . . . 0.0 110.163 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.9 -39.6 97.74 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.805 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.537 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 22.7 m-20 -84.61 4.17 33.49 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.445 0.641 . . . . 0.0 110.339 -177.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -97.72 -26.59 14.68 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -87.61 -55.42 3.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 45.4 mtmt -119.28 131.89 55.82 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 172.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.48 -33.52 54.55 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 70.78 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.375 1.07 . . . . 0.0 110.217 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' CE ' ' HA3' ' A' ' 64' ' ' GLY . 44.6 mttm -72.81 -19.43 61.33 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 19.0 m -61.72 -26.72 68.22 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.127 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -85.71 -33.12 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 109.413 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.62 -29.51 70.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.156 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 30' ' ' SER 0.256 0.0 OUTLIER -64.31 -27.84 69.31 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 178.807 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.83 0.824 . . . . 0.0 109.501 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 31.2 tp -71.8 -40.84 68.9 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.642 HG22 HD22 ' A' ' 40' ' ' LEU . 6.2 pt -66.3 -43.52 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -61.99 -26.15 68.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.868 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -97.05 -62.22 1.29 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' B' ' 1' ' ' SER . 26.1 mm-40 -91.94 -52.91 4.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -173.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.642 HD22 HG22 ' A' ' 36' ' ' ILE . 4.1 mp -67.18 -33.78 76.13 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.406 -170.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -122.68 74.88 1.22 Allowed 'General case' 0 N--CA 1.42 -1.973 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.189 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -119.69 14.93 12.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.224 -1.353 . . . . 0.0 107.377 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -110.51 87.37 2.51 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.652 -1.158 . . . . 0.0 107.997 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.95 70.04 9.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.773 0.797 . . . . 0.0 110.724 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -124.99 -77.79 0.59 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.546 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.52 -33.61 60.75 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.672 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm 58.44 76.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.326 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -93.45 -13.58 27.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 122.064 0.935 . . . . 0.0 109.438 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 4.9 pt-20 -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.24 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.98 -40.76 63.99 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 112.14 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.93 -55.83 4.35 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.048 0.928 . . . . 0.0 110.608 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 79' ' ' MET . 58.0 t -72.13 -38.08 61.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.559 ' O ' ' HG2' ' A' ' 57' ' ' MET . 37.6 t -56.3 -41.09 69.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 118.084 0.402 . . . . 0.0 111.771 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.94 -44.91 95.79 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.06 0.457 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.34 -36.15 83.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.541 0.686 . . . . 0.0 109.838 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 12.2 t -62.92 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 C-N-CA 124.773 1.229 . . . . 0.0 110.597 174.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -66.38 -29.56 69.76 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.019 0.438 . . . . 0.0 110.607 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -73.59 -53.26 10.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.963 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -62.31 -34.78 77.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.754 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 3.5 tp -44.43 -40.99 5.9 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 126.266 1.826 . . . . 0.0 110.836 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.32 -49.78 3.28 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.717 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -46.82 43.55 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -72.18 -32.3 66.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.443 ' HA3' ' CE ' ' A' ' 29' ' ' LYS . . . -125.68 -172.94 13.51 Favored Glycine 0 N--CA 1.438 -1.224 0 C-N-CA 119.624 -1.274 . . . . 0.0 113.562 -177.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.35 -51.27 4.44 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.68 42.15 0.02 OUTLIER Glycine 0 C--N 1.283 -2.403 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 156.13 45.03 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 124.176 0.99 . . . . 0.0 110.78 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.4 m -141.27 139.78 33.76 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.806 171.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.21 163.4 24.79 Favored 'General case' 0 C--N 1.277 -2.578 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -64.9 -23.49 67.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 117.938 0.335 . . . . 0.0 111.27 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.32 -35.18 78.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.09 -0.644 . . . . 0.0 109.66 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.54 -29.39 37.16 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -58.58 -44.88 89.95 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 176.107 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -50.02 72.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.651 172.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -55.56 -54.21 46.84 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.748 -177.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -64.12 -40.52 96.37 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.06 -43.19 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.028 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.583 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -67.9 -29.38 68.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.66 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 75' ' ' ALA 0.293 23.6 ptt? -85.35 -34.63 21.76 Favored 'General case' 0 N--CA 1.425 -1.702 0 C-N-CA 118.594 -1.243 . . . . 0.0 113.417 177.086 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.1 m -76.32 -37.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -84.83 -53.13 5.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.254 0.55 . . . . 0.0 111.226 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 21.0 m -89.99 -70.33 0.67 Allowed 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.125 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 54.75 38.41 30.09 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.662 0.785 . . . . 0.0 110.365 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m 75.32 -9.93 1.32 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.214 1.406 . . . . 0.0 112.773 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -85.25 141.29 30.21 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 79.59 -21.56 0.33 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.988 1.315 . . . . 0.0 111.797 -173.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -80.64 -7.02 59.16 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.438 0.637 . . . . 0.0 111.589 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.6 -33.17 5.63 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.513 -0.875 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.61 -61.03 2.12 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -73.68 -54.68 7.55 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 41.5 tt0 . . . . . 0 N--CA 1.433 -1.305 0 O-C-N 126.064 2.103 . . . . 0.0 105.44 -171.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 57.1 m . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 120.856 0.36 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 6.8 tp10 -81.65 -39.93 23.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -175.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 73' ' ' PHE . 3.7 mm? -67.42 -25.28 65.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.38 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' B' ' 1' ' ' SER . 37.4 tt0 -56.83 -60.53 3.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.445 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 17.7 ptpt -60.93 -29.88 69.88 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.446 -176.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.57 -52.33 13.84 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -65.75 -43.36 89.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.66 -33.49 63.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -47.21 79.01 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.863 0.364 . . . . 0.0 110.454 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.12 -40.11 84.4 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.764 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 pt -83.52 -41.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.653 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 20.9 t70 -68.73 -41.35 79.1 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.749 0.309 . . . . 0.0 111.364 -175.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.25 -31.64 47.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.33 -45.69 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.518 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 73.7 t60 -58.46 -44.36 89.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.937 176.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.7 mt-30 -51.07 -29.01 11.74 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.595 0.559 . . . . 0.0 112.5 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -84.09 87.06 7.13 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -103.85 122.9 46.11 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.458 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.16 165.0 46.52 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -37.92 73.37 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 117.583 0.691 . . . . 0.0 109.635 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -151.41 -64.08 0.18 Allowed 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.097 0.559 . . . . 0.0 110.784 172.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.34 96.15 Favored Glycine 0 CA--C 1.501 -0.789 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.627 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 21.5 m-20 -80.97 -0.17 38.26 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 121.201 0.524 . . . . 0.0 110.015 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -94.52 -20.15 19.9 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -93.94 -56.17 2.97 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 48.0 mtmt -120.44 130.95 54.55 Favored 'General case' 0 N--CA 1.42 -1.964 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.51 -34.39 60.81 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -171.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' C ' ' B' ' 66' ' ' GLY . 10.4 mptt 71.6 139.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.71 1.204 . . . . 0.0 110.079 -172.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' CE ' ' HA3' ' B' ' 64' ' ' GLY . 44.9 mttm -73.03 -19.07 61.26 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' B' ' 33' ' ' LYS . 12.7 m -60.44 -28.42 68.27 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.914 174.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -85.56 -31.91 22.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.586 -0.696 . . . . 0.0 109.221 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.36 -28.78 70.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.934 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' B' ' 30' ' ' SER 0.263 0.0 OUTLIER -66.11 -23.03 66.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.715 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.43 -38.47 49.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.071 0.939 . . . . 0.0 108.736 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.557 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 31.2 tp -65.59 -40.06 92.26 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.201 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.594 HG22 HD22 ' B' ' 40' ' ' LEU . 6.6 pt -66.93 -42.21 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -63.79 -27.03 68.91 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.93 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -97.51 -57.62 2.2 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -94.85 -53.58 3.79 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.594 HD22 HG22 ' B' ' 36' ' ' ILE . 4.2 mp -65.95 -36.91 84.64 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.567 -170.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -121.73 77.17 1.33 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 118.424 -1.311 . . . . 0.0 108.79 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -121.17 18.37 11.56 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -114.17 87.44 2.63 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.91 66.81 7.03 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.481 0.658 . . . . 0.0 110.358 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.07 -68.23 0.9 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.622 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.62 -33.04 28.02 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.331 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm 57.36 80.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 124.053 0.941 . . . . 0.0 111.899 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' B' ' 83' ' ' ALA . 30.5 mmmt -98.41 -15.05 19.81 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.125 0.964 . . . . 0.0 109.237 176.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.13 -33.74 67.69 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.839 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -53.76 -41.85 67.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.192 0.52 . . . . 0.0 111.816 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.28 -54.28 5.37 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.906 0.86 . . . . 0.0 110.798 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.466 HG21 ' O ' ' B' ' 79' ' ' MET . 54.5 t -74.27 -38.64 48.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -168.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' B' ' 57' ' ' MET . 26.5 t -56.18 -42.48 73.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 118.034 0.379 . . . . 0.0 111.558 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.48 -42.18 98.38 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 111.614 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.33 -34.99 75.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.427 0.632 . . . . 0.0 109.777 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 10.6 t -62.86 -42.67 97.31 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.796 0 C-N-CA 124.332 1.053 . . . . 0.0 110.36 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.1 mmt -69.62 -20.52 63.61 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.374 0.607 . . . . 0.0 110.951 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -80.76 -56.63 4.01 Favored 'General case' 0 N--CA 1.432 -1.331 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 p -59.78 -34.9 73.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.474 0.71 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.604 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 3.6 tp -45.07 -40.57 6.85 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.889 1.676 . . . . 0.0 110.706 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -106.88 -45.73 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.218 -1.355 . . . . 0.0 113.284 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -77.18 -47.6 19.86 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -73.38 -31.62 64.01 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -170.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.483 ' HA3' ' CE ' ' B' ' 29' ' ' LYS . . . -124.07 -172.18 13.62 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 119.353 -1.403 . . . . 0.0 113.16 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -102.6 -46.08 4.85 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 123.669 0.788 . . . . 0.0 111.379 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.428 ' C ' ' HA ' ' B' ' 28' ' ' LYS . . . 153.92 41.7 0.02 OUTLIER Glycine 0 C--N 1.285 -2.271 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 154.72 47.9 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 124.222 1.009 . . . . 0.0 110.769 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.6 m -139.96 145.24 37.62 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.332 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -134.21 164.05 28.25 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -63.57 -24.7 67.92 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.363 0.265 . . . . 0.0 111.307 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.53 -35.53 80.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.753 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -82.28 -28.8 31.55 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 0.6 OUTLIER -58.76 -44.98 90.73 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 175.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -47.69 82.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.748 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -56.41 -56.08 25.54 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.256 -177.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -63.35 -40.56 97.61 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.86 -42.94 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.138 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.585 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.49 -30.01 68.75 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.566 -177.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.509 ' O ' ' HB2' ' B' ' 83' ' ' ALA 0.295 23.7 ptt? -85.07 -34.21 22.29 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 118.633 -1.227 . . . . 0.0 113.496 177.167 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.96 -36.71 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.185 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -85.17 -53.96 4.92 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.403 0.62 . . . . 0.0 111.361 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 18.4 m -89.32 -69.76 0.7 Allowed 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.737 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 56.19 34.98 24.94 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.69 0.796 . . . . 0.0 110.35 -177.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.9 m 76.97 -7.71 1.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.846 1.659 . . . . 0.0 112.389 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.27 144.93 27.16 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.482 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 9.8 mm-40 78.05 -18.36 0.51 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.172 0.989 . . . . 0.0 110.801 -173.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -86.1 -10.01 55.65 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.485 0.659 . . . . 0.0 111.123 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -112.31 -36.46 5.29 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.155 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -74.93 -59.38 2.76 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.482 ' HB3' ' O ' ' B' ' 86' ' ' GLU . 19.1 t-80 -75.53 -55.67 5.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.488 ' OXT' ' HB2' ' A' ' 15' ' ' HIS . 40.4 tt0 . . . . . 0 N--CA 1.439 -1.021 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 -172.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.446 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 10.4 m . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.15 -46.68 64.21 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.493 HD11 HG11 ' B' ' 77' ' ' VAL . 22.3 tp -80.71 -37.72 30.14 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.279 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 45.2 mt-10 -51.46 -53.89 32.52 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 123.919 0.762 . . . . 0.0 111.838 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 1' ' ' SER . 21.8 pttm -69.64 -30.28 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.771 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.78 -44.25 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.65 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -62.46 -47.07 85.64 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.028 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.0 t -59.98 -47.44 91.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.028 178.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.41 75.89 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 60.8 mt -63.87 -44.33 93.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.007 0.432 . . . . 0.0 111.917 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.27 -35.32 15.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-O 121.25 0.547 . . . . 0.0 111.329 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 37.2 t70 -71.26 -38.58 71.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.302 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.8 -32.26 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.379 0.609 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.28 10.69 6.48 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.565 1.174 . . . . 0.0 109.598 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 -33.49 4.82 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.792 175.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 50.9 mt-30 -60.37 -38.23 83.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -47.34 -47.48 25.79 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.983 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.61 -31.91 6.52 Favored Glycine 0 N--CA 1.423 -2.215 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 7.0 ppt_? -75.35 -34.94 61.22 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 tp10 -109.74 -50.58 2.97 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.713 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -57.82 -48.89 78.99 Favored Glycine 0 C--O 1.181 -3.193 0 CA-C-N 113.544 -1.662 . . . . 0.0 113.344 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -85.62 12.23 9.17 Favored 'General case' 0 C--N 1.283 -2.301 0 CA-C-N 118.248 1.024 . . . . 0.0 113.373 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -112.19 -40.84 4.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.147 0.498 . . . . 0.0 110.62 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.438 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . 15.8 m-70 -112.4 -28.79 7.75 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.382 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.0 mmpt? 80.74 -162.42 0.02 OUTLIER 'General case' 0 C--O 1.239 0.519 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -160.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.79 135.78 48.63 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.718 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -53.55 144.88 16.19 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 124.533 1.146 . . . . 0.0 108.395 170.341 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 16.3 ptpt -69.55 -20.08 63.68 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.987 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 3.1 p -62.44 -32.04 72.85 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.724 173.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -84.67 -17.46 38.46 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 121.908 -0.495 . . . . 0.0 112.148 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 32' ' ' LEU . 3.4 tm? -60.86 -22.18 63.99 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.598 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.57 -38.24 66.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.71 172.409 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.52 -39.0 88.41 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.011 0.524 . . . . 0.0 110.544 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.6 -59.85 4.08 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.435 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG22 HD12 ' A' ' 40' ' ' LEU . 21.4 pt -64.61 -35.02 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -175.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.64 -29.0 70.0 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.195 0.521 . . . . 0.0 111.218 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -110.14 -60.74 1.76 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -97.08 74.35 2.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 122.15 0.976 . . . . 0.0 109.495 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 HG22 ' A' ' 36' ' ' ILE . 1.6 tt -170.48 -65.92 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -86.08 89.23 7.75 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.822 -173.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 36.5 m80 -127.48 -61.04 1.16 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' B' ' 4' ' ' GLU . 42.7 p90 -99.12 -7.91 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 3.0 mm? -91.27 92.28 8.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.608 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -149.37 18.49 0.94 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -126.79 -20.99 4.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -163.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.06 -80.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 C-N-CA 118.875 -1.13 . . . . 0.0 110.546 -172.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -127.11 -71.6 0.67 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 105.653 -1.981 . . . . 0.0 105.653 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 53' ' ' VAL . 33.3 mt-10 55.37 -65.24 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 164.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -51.3 -42.11 60.95 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -74.38 -28.28 61.03 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 122.1 0.953 . . . . 0.0 110.037 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 80' ' ' VAL . 3.5 t -87.51 -28.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.516 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.668 ' O ' HG12 ' A' ' 56' ' ' VAL . 97.9 t -63.68 -50.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.985 0.421 . . . . 0.0 110.774 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.63 -34.52 78.47 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.336 0.588 . . . . 0.0 110.69 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -30.71 57.14 Favored 'General case' 0 N--CA 1.423 -1.818 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.416 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 53' ' ' VAL . 3.0 p -71.06 -39.69 74.78 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -66.35 -33.11 74.98 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.162 0.506 . . . . 0.0 109.852 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.89 -57.12 4.92 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.487 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -65.21 -42.11 93.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 17.6 tp -58.46 -43.24 88.81 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.532 0.682 . . . . 0.0 110.453 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.38 -38.36 65.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.32 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.03 -44.15 85.52 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.811 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.14 -44.15 85.02 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . 78.51 -124.49 6.68 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 116.387 1.315 . . . . 0.0 116.387 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 12.6 m-20 -86.32 161.44 18.72 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.455 -176.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.44 9.15 4.61 Favored Glycine 0 C--N 1.312 -0.75 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.817 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 28' ' ' LYS 0.266 1.1 mp0 56.52 160.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 176.169 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 58.8 m -96.74 142.16 29.1 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.912 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.27 163.33 15.42 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -61.79 -28.86 69.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.165 0.507 . . . . 0.0 111.318 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -66.52 -33.74 76.37 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.458 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 46.5 mt-10 -72.35 -31.85 65.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' O ' HG12 ' A' ' 77' ' ' VAL . 1.6 t80 -59.55 -47.18 86.55 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.418 ' SD ' HD12 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -70.4 -40.75 73.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.42 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -57.31 -59.09 5.65 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.467 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 90.5 m-85 -61.49 -42.57 98.99 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -69.01 -45.78 79.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.18 72.39 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.226 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.486 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.9 ptt? -78.07 -28.14 48.77 Favored 'General case' 0 C--O 1.198 -1.607 0 C-N-CA 119.215 -0.994 . . . . 0.0 112.673 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' HA ' HG11 ' A' ' 52' ' ' VAL . 34.2 m -69.44 -37.27 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 C-N-CA 118.145 -1.422 . . . . 0.0 109.386 175.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -67.1 -47.52 70.95 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.281 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 36.4 p -93.53 -80.38 0.39 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 62.25 -78.2 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.276 1.83 . . . . 0.0 114.834 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.96 -8.44 57.98 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.776 -173.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' O ' ' HB ' ' A' ' 82' ' ' THR . 56.3 t-80 -133.35 127.68 34.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -76.24 137.79 40.19 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.661 ' HA ' ' C ' ' A' ' 91' ' ' GLU . 3.7 p90 -60.53 96.14 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.171 0.986 . . . . 0.0 110.941 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -109.53 -78.48 0.59 Allowed 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 114.978 -1.01 . . . . 0.0 108.97 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -72.4 -24.28 61.22 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.026 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -172.62 -33.42 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.116 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.661 ' C ' ' HA ' ' A' ' 87' ' ' PHE . 19.0 mp0 . . . . . 0 C--O 1.281 2.763 0 N-CA-C 100.299 -3.963 . . . . 0.0 100.299 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 32.4 m . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.86 -48.17 59.83 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.484 HD11 HG11 ' A' ' 77' ' ' VAL . 19.8 tp -80.36 -38.4 30.52 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.564 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 45.1 mt-10 -50.3 -53.63 27.24 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 123.819 0.699 . . . . 0.0 112.046 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' B' ' 1' ' ' SER . 23.5 pttm -69.45 -33.97 73.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.6 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -68.2 -44.13 76.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.346 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -61.95 -45.85 91.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.936 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.94 -44.32 97.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.214 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.78 74.91 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 53.8 mt -63.92 -44.63 92.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.133 -175.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.5 mt -79.47 -35.39 16.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.46 -38.8 68.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.45 -32.33 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.89 11.25 5.18 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 122.691 1.234 . . . . 0.0 109.59 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.13 -33.2 4.21 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.967 1.307 . . . . 0.0 110.161 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.65 -32.91 73.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.635 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -49.69 -50.57 43.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -161.58 142.37 10.94 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.93 -33.0 4.49 Favored Glycine 0 N--CA 1.433 -1.542 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -73.82 -30.28 62.62 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 111.619 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.75 -51.78 2.65 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.733 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -56.55 -46.97 87.39 Favored Glycine 0 C--O 1.177 -3.454 0 CA-C-N 113.671 -1.604 . . . . 0.0 113.104 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.1 8.17 21.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 118.362 1.081 . . . . 0.0 113.487 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -108.61 -44.62 4.02 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.245 0.545 . . . . 0.0 110.542 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' B' ' 67' ' ' GLU . 22.4 m-70 -107.36 -29.08 9.48 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.891 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.733 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 8.9 mmpt? 79.85 -163.12 0.02 OUTLIER 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -159.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 7.2 mp -106.82 136.51 46.52 Favored 'General case' 0 C--N 1.287 -2.137 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.499 -176.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HB2' ' HA ' ' B' ' 65' ' ' ASP . 0.0 OUTLIER -55.24 145.76 20.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 124.541 1.151 . . . . 0.0 108.198 170.47 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 17.1 ptpt -70.66 -20.01 62.75 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.807 -173.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.2 p -63.38 -30.3 71.46 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 120.712 0.291 . . . . 0.0 110.415 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.93 -17.59 37.28 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.0 111.81 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.43 ' O ' HD13 ' B' ' 32' ' ' LEU . 3.4 tm? -61.28 -22.31 64.73 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 173.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.45 -38.83 66.79 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.601 172.492 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.42 -36.57 81.52 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.176 0.513 . . . . 0.0 110.983 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.25 -60.15 3.55 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.137 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.517 HG22 HD12 ' B' ' 40' ' ' LEU . 22.7 pt -64.86 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -176.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.12 -32.67 74.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.127 0.489 . . . . 0.0 110.89 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -108.32 -61.2 1.62 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -96.1 75.07 3.02 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 122.142 0.972 . . . . 0.0 109.333 -175.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.517 HD12 HG22 ' B' ' 36' ' ' ILE . 1.8 tt -171.88 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.1 m -85.58 89.95 7.85 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.913 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.551 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 36.2 m80 -131.26 -67.5 0.7 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -92.58 -20.1 21.25 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 117.965 -1.494 . . . . 0.0 110.161 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.94 96.17 6.32 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.527 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -149.43 21.94 0.93 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.66 -25.9 3.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -164.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.46 -80.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 118.811 0.732 . . . . 0.0 111.816 -170.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -129.33 -69.65 0.69 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 40.6 mt-10 53.37 -68.52 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.787 0 N-CA-C 118.845 2.906 . . . . 0.0 118.845 164.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -46.35 -48.18 18.47 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -167.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.07 -34.36 77.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.265 1.031 . . . . 0.0 110.103 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.414 HG11 ' HA ' ' B' ' 80' ' ' VAL . 3.7 t -83.78 -25.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.401 -174.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.647 ' O ' HG12 ' B' ' 56' ' ' VAL . 96.5 t -65.02 -47.94 86.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-O 120.693 0.282 . . . . 0.0 111.098 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.88 -35.5 76.95 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.661 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -71.99 -32.07 66.87 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.647 HG12 ' O ' ' B' ' 53' ' ' VAL . 3.7 p -70.81 -40.69 76.97 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.9 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.6 mmt -64.12 -41.5 97.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.41 -54.96 32.61 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.818 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -67.54 -41.55 84.11 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 18.2 tp -58.67 -44.99 90.36 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 123.642 0.589 . . . . 0.0 110.786 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.55 -35.75 58.05 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.736 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.52 -46.28 90.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.97 -49.04 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.78 -113.18 3.62 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 170.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 9.3 m-20 -92.75 169.44 10.48 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.847 -174.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.34 14.22 7.13 Favored Glycine 0 C--N 1.315 -0.585 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.17 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' B' ' 28' ' ' LYS 0.257 1.3 mp0 54.72 162.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 177.624 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 58.0 m -100.79 139.59 36.26 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.275 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.74 163.55 15.68 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 173.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -58.91 -31.1 68.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.256 0.551 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.66 -34.14 77.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.902 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.46 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 51.0 mt-10 -72.79 -32.27 65.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.543 ' O ' HG12 ' B' ' 77' ' ' VAL . 1.4 t80 -59.3 -48.17 82.63 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -41.45 77.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -59.17 5.67 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.46 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 89.3 m-85 -61.39 -41.84 97.76 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 73' ' ' PHE . 7.3 p -68.97 -45.99 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.77 70.91 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.856 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.537 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 27.0 ptt? -78.87 -25.63 43.92 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.515 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 49' ' ' GLU . 34.2 m -71.44 -35.98 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.062 174.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m -67.8 -49.47 62.16 Favored 'General case' 0 N--CA 1.412 -2.356 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -92.85 -80.06 0.38 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 62.18 -84.38 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.972 1.709 . . . . 0.0 114.282 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.7 m -75.84 -22.39 56.3 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.01 -173.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -123.62 121.33 35.29 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.11 136.32 52.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 123.933 0.77 . . . . 0.0 108.949 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' B' ' 91' ' ' GLU . 0.8 OUTLIER -58.59 96.29 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 122.202 1.001 . . . . 0.0 111.392 177.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.97 -79.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.968 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.77 -27.72 65.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.182 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -168.83 -38.93 0.02 OUTLIER 'General case' 0 C--O 1.199 -1.567 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.53 ' C ' ' HA ' ' B' ' 87' ' ' PHE . 11.8 mp0 . . . . . 0 N--CA 1.418 -2.048 0 N-CA-C 100.356 -3.942 . . . . 0.0 100.356 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.0 tp10 -73.78 -47.69 37.07 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' B' ' 35' ' ' LEU . 3.2 tm? -80.9 -29.92 35.53 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -177.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.53 -52.01 65.14 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.247 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 52.8 pttt -68.33 -26.78 65.78 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.155 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.52 -53.1 31.47 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.744 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -61.1 -40.14 92.61 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 109.934 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -40.56 89.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.5 mp -62.89 -46.55 87.32 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.243 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.518 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 24.9 pt -72.29 -23.95 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.47 -27.99 29.08 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.717 0.294 . . . . 0.0 110.856 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 10' ' ' LEU . 6.0 p -68.77 -26.03 31.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.744 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 15.3 m-85 -65.66 -44.62 85.74 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.05 -39.29 81.57 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.105 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.57 -23.16 66.78 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -90.65 -172.48 3.41 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -73.2 167.96 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -173.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.552 ' CA ' ' HB2' ' A' ' 23' ' ' ASP . . . 111.44 127.49 5.06 Favored Glycine 0 N--CA 1.414 -2.782 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.451 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -100.04 -34.63 10.0 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 176.024 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.74 -82.23 0.48 Allowed 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.7 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.1 99.44 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.998 -0.546 . . . . 0.0 114.403 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.6 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 2.5 m-20 -81.99 -14.78 55.5 Favored 'General case' 0 C--O 1.2 -1.549 0 CA-C-N 117.218 0.509 . . . . 0.0 110.268 -173.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -81.81 -21.5 37.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.914 0.864 . . . . 0.0 109.507 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -104.45 -41.65 5.68 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.352 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 9.3 mmpt? -118.52 95.05 4.7 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 23' ' ' ASP . 3.3 mm? -58.05 -35.66 71.66 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -166.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 13.1 mptt 83.87 126.87 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 125.152 1.381 . . . . 0.0 109.103 -166.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 12.3 ptmt -64.56 -18.58 64.98 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.547 -177.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 8.5 m -63.98 -28.53 69.88 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.259 173.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.35 -32.37 64.5 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.28 -29.84 69.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.141 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -59.51 -51.77 68.45 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.384 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.69 -29.57 68.87 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.111 0.481 . . . . 0.0 111.3 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' B' ' 3' ' ' LEU . 3.1 tm? -61.72 -55.62 28.37 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.861 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.534 ' HB ' HD12 ' A' ' 40' ' ' LEU . 11.9 pt -64.95 -35.18 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -37.39 60.96 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 7.4 t30 -101.27 -45.09 5.46 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.73 -34.98 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -173.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.675 HD11 HG21 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -75.23 -64.87 0.97 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.709 0.766 . . . . 0.0 108.941 -173.177 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -92.13 37.81 0.99 Allowed 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.412 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 19.8 t-80 -75.78 88.48 2.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.933 0.397 . . . . 0.0 110.515 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 63.81 18.03 10.89 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.797 1.239 . . . . 0.0 112.425 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 tp -143.54 81.03 1.69 Allowed 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.89 -78.96 0.54 Allowed 'General case' 0 C--O 1.186 -2.255 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.079 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -80.06 103.3 9.85 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.491 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.463 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 73.0 mt -135.74 -64.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.1 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -158.31 -23.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.449 1.099 . . . . 0.0 113.111 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.75 -33.8 73.47 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 126.947 2.099 . . . . 0.0 113.543 -176.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.47 -35.3 52.35 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.96 -45.64 84.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.61 0.719 . . . . 0.0 109.16 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 80' ' ' VAL . 39.9 t -74.64 -31.79 27.83 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.504 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 76.5 t -57.81 -43.87 85.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.054 0.541 . . . . 0.0 111.128 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.7 -39.78 94.24 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.519 0.676 . . . . 0.0 110.573 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -67.09 -39.21 86.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.846 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.25 -45.78 97.97 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 125.078 1.351 . . . . 0.0 110.466 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.1 mmt -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.501 0.191 . . . . 0.0 111.149 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.65 -59.5 4.2 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.5 p -61.81 -45.08 95.4 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -50.68 -50.18 55.47 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.864 0.866 . . . . 0.0 110.537 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.19 -42.38 26.18 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.589 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.58 -46.33 88.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.574 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.31 -60.71 2.25 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.187 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.7 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 124.051 0.844 . . . . 0.0 114.773 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 20.9 m-20 -61.24 -31.25 71.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.352 0.596 . . . . 0.0 111.721 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 99.2 3.9 56.57 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 11.2 pt-20 -148.58 -178.24 6.22 Favored 'General case' 0 N--CA 1.409 -2.508 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 6.9 t -157.4 155.71 30.98 Favored 'General case' 0 N--CA 1.415 -2.193 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 171.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -140.02 171.81 13.66 Favored 'General case' 0 C--N 1.274 -2.682 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -60.71 -29.27 69.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.521 0.513 . . . . 0.0 110.025 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -63.91 -42.86 97.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.197 176.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 42.4 mt-10 -71.13 -39.28 72.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.881 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.3 m-85 -55.17 -46.02 75.78 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 123.48 0.488 . . . . 0.0 109.793 174.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.474 ' SD ' HD22 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -64.1 -51.98 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.527 0.517 . . . . 0.0 110.801 176.495 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.76 -59.36 4.97 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -60.49 -45.62 93.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.673 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.2 p -75.06 -35.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.74 -28.04 44.87 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.718 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.485 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 24.8 ptm -70.47 -40.02 73.9 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.425 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 40' ' ' LEU . 34.1 m -72.83 -50.61 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.986 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -85.01 -32.43 22.94 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -111.22 -57.82 2.19 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 79' ' ' MET . . . -54.4 -48.65 71.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -172.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.1 m -81.95 -13.44 57.48 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -97.1 -24.85 15.56 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.232 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.13 156.21 0.15 Allowed 'General case' 0 C--O 1.244 0.793 0 C-N-CA 125.56 1.544 . . . . 0.0 111.995 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.1 -14.06 61.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.57 -42.39 95.69 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.254 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -97.11 -13.36 22.23 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -81.12 -87.79 0.08 Allowed 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.221 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -171.732 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.6 tp10 -76.87 -42.29 40.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 35' ' ' LEU . 3.2 tm? -83.75 -30.64 26.51 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.93 -56.08 18.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.945 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 55.5 pttt -64.68 -29.71 70.71 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.424 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.613 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -65.21 -51.93 57.9 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.451 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -62.04 -39.14 91.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.949 0.404 . . . . 0.0 109.986 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.96 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.104 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -63.45 -43.21 98.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.672 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.613 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.6 mp -62.71 -45.52 92.34 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.473 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.479 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 24.9 pt -73.33 -23.89 20.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -176.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.29 -28.82 28.84 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.564 HG12 ' O ' ' B' ' 10' ' ' LEU . 5.4 p -68.41 -26.99 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.676 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 16.1 m-85 -64.93 -44.73 88.52 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.61 -40.58 83.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.296 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.55 -15.46 63.67 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 176.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -95.4 -173.81 3.01 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.0 p -71.05 163.29 27.88 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.278 0.561 . . . . 0.0 112.469 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.545 ' CA ' ' HB2' ' B' ' 23' ' ' ASP . . . 116.77 128.7 4.19 Favored Glycine 0 N--CA 1.415 -2.735 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.068 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.405 ' H ' ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -101.92 -35.14 9.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.176 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.93 -78.59 0.51 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.624 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.06 91.38 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 114.579 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.565 ' O ' ' HA ' ' B' ' 27' ' ' LEU . 9.2 m-20 -78.1 -17.96 56.29 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-N 117.44 0.62 . . . . 0.0 110.185 -173.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -79.12 -24.34 43.46 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.794 0.807 . . . . 0.0 109.943 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -103.07 -40.76 6.34 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.579 0.704 . . . . 0.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' B' ' 26' ' ' LYS . 8.8 mmpt? -119.28 94.18 4.34 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.565 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.5 mm? -57.67 -34.93 69.91 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -167.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.2 mptt 80.77 122.82 0.05 OUTLIER 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.364 1.066 . . . . 0.0 109.278 -168.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HB2' ' B' ' 68' ' ' CYS . 11.7 ptmt -59.35 -18.4 37.96 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.557 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 15.0 m -64.94 -31.58 72.89 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 122.283 -0.261 . . . . 0.0 110.303 173.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.5 -30.9 67.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.244 0.545 . . . . 0.0 109.571 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.487 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -61.22 -30.42 70.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.082 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.557 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.3 OUTLIER -59.93 -50.78 72.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.352 175.1 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.13 -34.88 79.46 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 120.972 0.415 . . . . 0.0 111.152 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' A' ' 3' ' ' LEU . 3.2 tm? -58.03 -55.59 32.94 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.286 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.599 ' HB ' HD12 ' B' ' 40' ' ' LEU . 13.7 pt -66.14 -34.68 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -33.13 54.71 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' B' ' 42' ' ' HIS . 6.9 t30 -104.04 -50.06 3.47 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -176.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.96 -32.9 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.752 HD11 HG21 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -74.9 -66.99 0.69 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.053 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -92.66 39.37 1.03 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.137 -172.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' B' ' 38' ' ' ASN . 25.4 t-80 -76.32 90.46 3.19 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 122.183 -0.323 . . . . 0.0 110.365 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 59.84 21.89 10.81 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.577 1.151 . . . . 0.0 111.966 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.32 79.21 1.49 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -103.24 -89.33 0.39 Allowed 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.588 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 103.35 1.78 Allowed 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.52 0.728 . . . . 0.0 112.957 -171.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -135.57 -78.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -154.78 16.09 0.43 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.379 1.071 . . . . 0.0 109.786 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.479 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -97.11 -35.95 10.64 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.39 -174.1 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -54.19 -35.0 61.88 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.48 -48.97 75.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' B' ' 80' ' ' VAL . 45.3 t -70.05 -34.38 59.23 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.583 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.406 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' B' ' 57' ' ' MET . 77.5 t -57.77 -42.32 81.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 C-N-CA 123.108 0.563 . . . . 0.0 111.232 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.88 -37.92 79.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.265 0.555 . . . . 0.0 110.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.37 -38.6 87.92 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.927 0.87 . . . . 0.0 109.424 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.63 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 C-N-CA 124.95 1.3 . . . . 0.0 110.528 172.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -64.18 -28.58 69.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -71.48 -61.16 1.87 Allowed 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -60.95 -43.1 99.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 16.6 tp -51.35 -49.46 61.38 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.817 0.847 . . . . 0.0 110.78 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -83.53 -38.12 22.14 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.478 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -65.13 -49.49 69.71 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.434 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.35 -61.42 2.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.686 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.73 80.95 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 O-C-N 123.962 0.789 . . . . 0.0 114.827 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.82 -22.24 63.31 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 122.069 -0.665 . . . . 0.0 110.804 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.61 5.32 75.06 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -173.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.82 -175.12 5.0 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.505 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 7.6 t -157.93 161.29 38.21 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -146.32 170.77 16.11 Favored 'General case' 0 C--N 1.279 -2.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -60.7 -30.18 69.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -62.93 -39.58 95.02 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.949 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 45.5 mt-10 -75.02 -39.74 60.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.531 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.634 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.6 m-85 -54.91 -46.5 74.86 Favored 'General case' 0 CA--C 1.502 -0.875 0 O-C-N 123.488 0.492 . . . . 0.0 109.788 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.443 ' SD ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.59 -52.57 60.39 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.466 0.479 . . . . 0.0 110.859 176.739 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.78 -59.26 5.13 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -59.96 -47.66 84.88 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.646 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.3 p -73.73 -35.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.848 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.86 52.94 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.29 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.438 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 27.5 ptm -74.68 -34.3 62.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.761 -0.775 . . . . 0.0 110.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.752 HG21 HD11 ' B' ' 40' ' ' LEU . 35.9 m -76.68 -46.64 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.7 m -85.81 -36.91 19.77 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -110.29 -55.48 2.46 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -169.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' B' ' 79' ' ' MET . . . -52.48 -59.68 4.15 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 m -75.5 -18.58 59.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.023 0.439 . . . . 0.0 111.624 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.82 -24.44 23.72 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 70.98 156.06 0.15 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.962 1.705 . . . . 0.0 110.917 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.4 -14.89 61.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.91 -48.51 80.14 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.404 1.082 . . . . 0.0 110.045 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -88.58 -16.64 32.02 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.882 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.12 -86.79 0.07 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.897 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 103.953 -2.61 . . . . 0.0 103.953 -170.82 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.44 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 73.1 m . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.78 -49.98 70.81 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-O 121.506 0.67 . . . . 0.0 110.626 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.434 HD21 HD23 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -87.11 -27.81 22.88 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 39.0 tt0 -54.96 -53.27 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.139 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -65.04 -26.5 68.29 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.356 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -52.02 45.78 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.362 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -64.86 -42.25 95.01 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.57 -42.82 92.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.698 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.33 85.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.588 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.439 HD23 HD21 ' B' ' 3' ' ' LEU . 83.7 mt -53.72 -43.98 69.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.184 0.516 . . . . 0.0 111.155 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 -45.73 24.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.026 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 23.8 t70 -70.93 -31.79 68.5 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.14 -34.32 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -63.7 -42.63 97.94 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.8 t60 -55.09 -38.8 68.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.068 1.347 . . . . 0.0 111.607 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' A' ' 27' ' ' LEU . 5.3 m-85 -66.38 150.73 48.45 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 m -76.6 22.76 0.17 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.42 ' HA3' ' HG ' ' A' ' 27' ' ' LEU . . . -124.88 4.74 8.47 Favored Glycine 0 C--N 1.305 -1.156 0 C-N-CA 119.645 -1.264 . . . . 0.0 111.275 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 5.4 ppt_? -59.18 -21.53 59.58 Favored 'General case' 0 C--O 1.209 -1.057 0 C-N-CA 124.219 1.008 . . . . 0.0 113.059 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.72 -45.6 0.88 Allowed 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.28 -30.08 76.82 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 23.7 t70 -83.77 -94.82 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.041 0.92 . . . . 0.0 112.535 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -117.04 15.64 15.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t60 73.64 12.16 4.59 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -166.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 52.9 mtmt -152.25 173.82 14.54 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 17' ' ' TYR . 6.8 mp -116.9 147.04 42.55 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 118.835 0.743 . . . . 0.0 110.94 -171.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -59.57 154.4 17.59 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 99.2 mttt -65.28 -20.66 66.51 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.117 0.484 . . . . 0.0 111.82 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.3 m -61.48 -29.68 70.13 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 123.53 0.732 . . . . 0.0 110.411 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.37 -29.95 25.83 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.752 0.787 . . . . 0.0 109.217 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.89 -30.2 70.72 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.38 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 30' ' ' SER . 6.2 ttmt -51.63 -54.81 23.84 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.25 1.42 . . . . 0.0 110.725 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.39 -36.33 83.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.241 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 12.2 tp -61.14 -53.11 61.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.947 177.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.0 pt -67.91 -25.93 33.52 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -35.07 66.43 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 174.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -112.46 -67.5 0.99 Allowed 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.275 0.56 . . . . 0.0 112.061 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.276 58.2 mm-40 -87.82 74.13 9.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 123.245 1.498 . . . . 0.0 113.678 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.636 ' HG ' HG23 ' A' ' 77' ' ' VAL . 4.1 tt -128.0 -60.81 1.13 Allowed 'General case' 0 C--N 1.269 -2.913 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 171.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -169.96 47.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.715 1.606 . . . . 0.0 107.553 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 m80 73.5 -71.81 0.13 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.638 1.175 . . . . 0.0 112.217 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.52 -79.83 0.47 Allowed 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.374 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 73.2 mt 63.28 90.95 0.08 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.501 1.12 . . . . 0.0 109.966 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -133.59 5.77 3.72 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.77 1.67 4.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -168.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.637 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 3.1 mp -100.36 -72.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 118.384 -1.326 . . . . 0.0 110.274 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 1.7 tmmm? -153.22 -29.04 0.14 Allowed 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.439 0.638 . . . . 0.0 109.577 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.637 ' OE1' ' HB ' ' A' ' 47' ' ' ILE . 2.9 pm0 -55.55 -27.36 48.56 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.191 1.797 . . . . 0.0 112.647 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -28.05 13.66 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.671 0.788 . . . . 0.0 112.92 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.54 -53.72 6.6 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.96 -37.47 79.87 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.271 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.608 ' O ' ' HG2' ' A' ' 57' ' ' MET . 73.1 t -56.47 -40.81 70.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 123.393 0.433 . . . . 0.0 110.572 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.52 -46.37 69.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.455 0.645 . . . . 0.0 109.784 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -62.96 -36.43 83.45 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.301 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.0 t -63.52 -47.16 92.8 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.578 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.131 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.608 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.0 mmt -58.76 -33.33 70.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.153 0.433 . . . . 0.0 112.144 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.77 -59.93 2.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.939 0.399 . . . . 0.0 110.396 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 p -61.65 -41.73 97.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.418 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.9 tp -53.42 -51.03 63.92 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 125.247 1.419 . . . . 0.0 109.84 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.34 -40.64 73.97 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.14 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -76.99 -48.26 18.47 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.597 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -82.58 -33.52 28.03 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 123.175 0.59 . . . . 0.0 112.508 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.63 49.48 4.19 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.961 -0.638 . . . . 0.0 114.649 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.44 -25.61 31.06 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.597 0.713 . . . . 0.0 109.76 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.53 -63.99 1.4 Allowed Glycine 0 N--CA 1.432 -1.577 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.461 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -172.09 178.12 3.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.555 0.342 . . . . 0.0 110.663 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 49.1 t -131.72 120.78 23.2 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 173.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.05 168.1 11.62 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -66.15 -24.6 66.69 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.379 0.609 . . . . 0.0 109.608 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.62 -37.99 88.14 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.045 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 42.0 mt-10 -83.53 -27.06 29.6 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.752 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -54.54 -53.42 54.68 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 172.266 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -46.92 88.65 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.201 174.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -52.33 -56.19 16.49 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.54 -176.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.472 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 71.7 m-85 -62.69 -46.05 89.92 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.636 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.6 p -70.03 -30.78 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.798 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.3 -39.86 31.84 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.515 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.472 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 27.5 ptm -68.68 -36.97 79.21 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 40' ' ' LEU . 27.8 m -65.35 -31.97 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.513 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -78.67 -23.67 45.55 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.057 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -116.12 -88.16 0.59 Allowed 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.981 -0.449 . . . . 0.0 112.138 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.78 76.61 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.489 1.516 . . . . 0.0 113.857 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -169.36 -57.27 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -155.4 -70.91 0.12 Allowed 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -166.278 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' B' ' 4' ' ' GLU . 74.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.42 ' HA ' ' HE3' ' B' ' 5' ' ' LYS . 16.6 tp10 -65.53 -50.34 65.59 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.413 0.625 . . . . 0.0 110.787 -175.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.439 HD21 HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -85.6 -28.72 24.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -176.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' B' ' 1' ' ' SER . 42.4 tt0 -55.06 -53.6 53.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.933 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 2' ' ' GLU . 23.1 pttp -67.95 -20.61 65.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.585 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -52.04 18.52 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.183 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.36 -43.32 94.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.88 -43.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.727 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.29 87.08 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.654 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.434 HD23 HD21 ' A' ' 3' ' ' LEU . 84.9 mt -53.23 -43.56 67.39 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.174 0.511 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.65 -45.33 23.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.899 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 21.3 t70 -67.21 -35.46 79.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.09 -34.6 64.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -63.84 -42.52 97.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 6.2 t60 -55.0 -39.34 68.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.764 1.225 . . . . 0.0 111.356 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 -40.49 97.77 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.447 ' HB3' HD21 ' B' ' 27' ' ' LEU . 5.9 m-85 -66.56 149.77 49.98 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -74.32 11.56 0.94 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -170.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.428 ' HA3' ' HG ' ' B' ' 27' ' ' LEU . . . -111.91 3.28 27.26 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 119.716 -1.23 . . . . 0.0 111.613 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' B' ' 20' ' ' ARG . 6.1 ppt_? -58.16 -19.21 31.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.293 1.037 . . . . 0.0 113.411 -176.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -133.08 -50.15 0.87 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.083 0.468 . . . . 0.0 109.826 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.36 -35.89 89.63 Favored Glycine 0 C--N 1.314 -0.663 0 N-CA-C 115.717 1.047 . . . . 0.0 115.717 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.564 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 19.6 t70 -78.03 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.849 0.825 . . . . 0.0 112.476 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -125.86 22.28 7.45 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 t60 68.04 13.5 9.13 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 51.0 mtmt -153.87 173.21 16.23 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 17' ' ' TYR . 6.8 mp -117.42 147.2 42.9 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 118.843 0.747 . . . . 0.0 110.476 -171.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -60.99 158.39 13.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 99.4 mttt -67.71 -22.87 65.24 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -177.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 2.3 p -62.55 -26.68 68.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.611 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.08 -30.47 25.99 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.772 0.796 . . . . 0.0 109.316 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.573 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.33 -29.29 70.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.58 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' B' ' 30' ' ' SER . 7.8 ttmt -51.49 -55.38 19.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.235 1.414 . . . . 0.0 110.734 175.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.17 -32.95 74.89 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.769 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 14.2 tp -65.64 -50.54 64.6 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.611 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 32' ' ' LEU . 9.2 pt -69.11 -24.82 28.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -39.65 64.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.417 173.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -113.41 -65.37 1.19 Allowed 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.403 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.272 60.0 mm-40 -88.55 74.6 8.47 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 123.128 1.442 . . . . 0.0 113.511 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' B' ' 77' ' ' VAL . 4.0 tt -129.72 -59.44 1.07 Allowed 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 103.318 -2.845 . . . . 0.0 103.318 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -171.22 47.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.663 1.585 . . . . 0.0 107.877 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.21 -73.42 0.1 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.396 1.078 . . . . 0.0 112.611 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.36 -78.0 0.52 Allowed 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.434 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.503 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 68.3 mt 61.18 95.22 0.04 OUTLIER 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.445 1.09 . . . . 0.0 110.463 -172.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -140.94 5.75 1.96 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.695 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -129.07 -6.72 4.91 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.558 ' HB ' ' OE1' ' B' ' 49' ' ' GLU . 3.1 mp -96.59 -77.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.934 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.496 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 1.7 tmmm? -148.53 -27.94 0.31 Allowed 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.883 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.558 ' OE1' ' HB ' ' B' ' 47' ' ' ILE . 3.3 pm0 -55.45 -24.3 30.09 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 125.56 1.544 . . . . 0.0 112.068 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -27.69 17.68 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.571 0.749 . . . . 0.0 112.751 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.13 -53.83 6.05 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.2 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.147 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' B' ' 57' ' ' MET . 74.1 t -56.08 -42.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 O-C-N 123.348 0.405 . . . . 0.0 110.272 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.3 -44.22 84.07 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.397 0.617 . . . . 0.0 110.853 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.91 -36.23 81.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.134 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.7 t -61.95 -47.14 94.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.561 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.21 172.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -58.32 -33.6 69.68 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.79 -58.5 4.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.111 0.481 . . . . 0.0 111.269 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 p -63.87 -39.79 95.03 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.044 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.5 tp -53.22 -53.2 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 125.248 1.419 . . . . 0.0 110.028 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.72 -41.87 74.74 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.692 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -74.81 -49.69 19.84 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.83 -36.36 42.64 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.13 40.42 2.53 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -77.79 -23.93 49.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.711 0.767 . . . . 0.0 109.638 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.93 -62.29 1.85 Allowed Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -176.67 175.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.473 0.709 . . . . 0.0 110.264 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 44.5 t -130.49 123.41 29.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.35 167.72 11.01 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.537 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -64.3 -25.87 68.23 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.13 -38.76 92.21 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.258 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 75' ' ' ALA . 41.8 mt-10 -84.97 -25.88 27.49 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.272 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.604 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -54.87 -53.05 60.38 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -47.02 88.36 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.158 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' B' ' 72' ' ' GLU . . . -52.39 -55.78 19.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.633 0.583 . . . . 0.0 112.47 -176.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.489 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 71.5 m-85 -62.79 -45.63 91.75 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.627 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.4 p -70.5 -30.25 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.9 0.381 . . . . 0.0 111.736 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.83 -39.58 30.4 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.724 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.489 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 27.8 ptm -70.14 -36.66 74.9 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.598 HG21 HD11 ' B' ' 40' ' ' LEU . 28.1 m -65.36 -31.02 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.461 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.4 m -79.0 -25.66 43.33 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.051 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.8 p -113.89 -87.94 0.56 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.913 -0.492 . . . . 0.0 112.009 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.54 76.43 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.545 1.538 . . . . 0.0 113.665 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.4 p -167.52 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -148.95 -71.64 0.2 Allowed 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 123.615 0.766 . . . . 0.0 112.629 175.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.475 ' HB3' ' CD ' ' B' ' 39' ' ' GLU . 24.7 m . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 5.9 tp10 -63.31 -47.14 83.5 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.112 0.565 . . . . 0.0 111.177 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.704 ' HG ' ' CZ ' ' B' ' 73' ' ' PHE . 2.8 tm? -70.61 -36.19 73.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 1' ' ' SER . 3.3 tm-20 -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.679 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 2' ' ' GLU . 45.1 mtpt -62.53 -52.35 63.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.561 0.696 . . . . 0.0 109.624 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -59.85 -50.35 74.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.275 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.38 -45.71 80.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.793 0.437 . . . . 0.0 111.891 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -31.46 52.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.71 93.44 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 6' ' ' ALA . 6.6 mp -57.11 -49.07 77.03 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.043 0.449 . . . . 0.0 111.592 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 pt -73.06 -36.82 51.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.62 -37.76 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.76 -29.05 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.992 0.901 . . . . 0.0 108.753 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 68' ' ' CYS . 39.6 t80 -85.42 9.25 16.17 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.855 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.481 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 24.3 t60 -114.0 -46.03 3.03 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -56.54 -50.21 72.53 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.677 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -78.73 125.99 30.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 111.153 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 65.23 41.33 4.48 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-N 114.249 -1.341 . . . . 0.0 107.79 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.86 75.04 0.32 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 113.795 -1.548 . . . . 0.0 113.204 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 6.7 ppt_? -162.3 -34.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 126.399 1.88 . . . . 0.0 106.523 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 34.4 tt0 -105.71 -44.78 4.57 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 15' ' ' HIS . . . -74.33 -4.9 70.45 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.14 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t70 -114.59 36.06 3.97 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -160.64 -56.55 0.05 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.629 -0.67 . . . . 0.0 112.259 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -144.96 21.83 1.59 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 109.568 -173.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 6.3 mmpt? 66.68 173.97 0.25 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.61 -171.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD12 ' OE2' ' A' ' 21' ' ' GLU . 52.9 tp -111.58 149.0 32.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -171.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -73.59 156.57 37.94 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.214 179.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 20.9 ptmt -65.19 -24.33 67.34 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.622 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' OG ' ' HA2' ' A' ' 64' ' ' GLY . 10.4 m -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.178 0.513 . . . . 0.0 110.268 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.51 -19.61 30.92 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.388 0.613 . . . . 0.0 109.869 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.3 tm? -62.12 -23.6 66.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.329 1.052 . . . . 0.0 108.736 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 34' ' ' GLU . 1.5 tmmt? -50.38 -50.14 52.37 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.559 1.144 . . . . 0.0 111.122 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.5 mt-10 -70.15 -29.15 65.99 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.539 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -70.87 -42.75 69.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -67.83 -32.3 55.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.355 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 91.5 m-20 -58.13 -31.65 67.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.867 0.365 . . . . 0.0 111.684 174.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -92.74 -39.23 11.37 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 44.3 mm-40 -96.5 -26.14 15.4 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 77' ' ' VAL . 1.9 tm? -111.44 -53.71 2.68 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.39 0.614 . . . . 0.0 110.233 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 14.8 m -78.02 165.09 24.45 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 73.04 0.86 3.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.718 1.207 . . . . 0.0 110.259 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 -58.46 0.95 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.38 90.65 6.34 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.19 -19.77 12.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -131.69 82.84 2.05 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.403 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mt -138.44 -84.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.184 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.11 25.04 0.42 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 -176.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -98.64 -11.52 21.97 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.478 -1.237 . . . . 0.0 113.705 -172.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -55.83 -39.84 71.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.86 -50.41 9.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.069 0.937 . . . . 0.0 109.873 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.22 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.367 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 57' ' ' MET . 65.8 t -55.63 -41.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 123.155 0.285 . . . . 0.0 111.171 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.87 -43.16 89.16 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.73 0.776 . . . . 0.0 110.269 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG22 ' HD1' ' A' ' 76' ' ' PHE . 16.8 t -67.3 -43.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 124.077 0.951 . . . . 0.0 111.152 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.1 mmt -64.32 -32.9 74.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.063 0.458 . . . . 0.0 110.079 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.57 -56.16 8.09 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.75 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -58.81 -41.98 88.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.48 -41.32 80.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.57 -38.37 62.69 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.6 -57.93 4.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.101 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.42 -60.92 2.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' HA2' ' OG ' ' A' ' 30' ' ' SER . . . 74.47 -68.47 1.8 Allowed Glycine 0 C--O 1.251 1.213 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.642 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 67.34 -59.69 0.39 Allowed 'General case' 0 C--O 1.238 0.468 0 C-N-CA 127.003 2.121 . . . . 0.0 113.898 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.29 -33.5 2.36 Favored Glycine 0 C--N 1.285 -2.269 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.0 pt-20 -149.67 156.28 41.62 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 72' ' ' GLU . 13.0 t -102.66 127.95 49.55 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.29 161.56 28.0 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.408 ' HE1' ' HA ' ' B' ' 75' ' ' ALA . 51.8 p90 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.428 0.633 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -70.8 -29.27 65.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.953 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.631 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 8.3 mm-40 -64.14 -52.75 57.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.427 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.678 ' CZ ' ' HG ' ' B' ' 3' ' ' LEU . 0.9 OUTLIER -58.88 -45.57 89.89 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 tpt -54.13 -51.11 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.796 0.685 . . . . 0.0 110.849 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -49.53 75.09 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.554 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' HD1' HG22 ' A' ' 56' ' ' VAL . 71.9 m-85 -62.11 -49.52 75.56 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 73' ' ' PHE . 6.6 p -68.53 -35.92 72.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.054 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.08 63.52 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.861 -0.525 . . . . 0.0 111.428 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.273 22.9 ptt? -79.17 -23.12 44.13 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 118.655 -1.218 . . . . 0.0 112.593 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 40' ' ' LEU . 27.5 m -79.03 -41.98 23.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.125 173.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.1 m -73.84 -32.97 63.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.381 0.61 . . . . 0.0 111.66 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -122.08 -58.15 1.74 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.739 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 73.31 143.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.556 1.142 . . . . 0.0 112.781 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.4 m 49.13 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.164 1.386 . . . . 0.0 112.871 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -152.95 52.09 0.75 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 CA--C 1.553 1.083 0 CA-C-O 121.798 0.808 . . . . 0.0 110.983 -178.52 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 37.7 mt-10 . . . . . 0 C--O 1.271 2.207 0 O-C-N 124.767 1.292 . . . . 0.0 108.261 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.434 ' HB3' ' CD ' ' A' ' 39' ' ' GLU . 26.3 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.62 -48.14 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.331 0.586 . . . . 0.0 110.237 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.678 ' HG ' ' CZ ' ' A' ' 73' ' ' PHE . 2.8 tm? -69.03 -31.97 71.15 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.608 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.07 -40.86 95.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.343 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.74 -47.74 71.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.554 0.693 . . . . 0.0 109.803 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.448 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -64.06 -51.66 63.03 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.214 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.06 -47.14 78.48 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.902 0.481 . . . . 0.0 111.951 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.81 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.958 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.42 91.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.416 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 6' ' ' ALA . 6.5 mp -57.37 -48.2 79.66 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.2 pt -73.77 -35.99 45.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.48 -38.43 55.33 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.21 -29.95 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 122.024 0.916 . . . . 0.0 108.611 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' B' ' 68' ' ' CYS . 40.9 t80 -85.26 9.46 15.17 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.953 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.511 ' HA ' ' O ' ' B' ' 22' ' ' GLY . 22.5 t60 -114.32 -45.21 3.05 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 173.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -56.49 -52.02 66.3 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.226 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -76.3 129.23 36.34 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.846 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.4 m 61.08 42.11 12.89 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 124.403 1.064 . . . . 0.0 108.863 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.68 69.23 0.57 Allowed Glycine 0 C--N 1.341 0.84 0 CA-C-N 113.796 -1.547 . . . . 0.0 113.336 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -156.81 -33.8 0.08 Allowed 'General case' 0 C--N 1.282 -2.342 0 C-N-CA 126.078 1.751 . . . . 0.0 107.249 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 34.9 tt0 -105.2 -44.86 4.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 172.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' B' ' 15' ' ' HIS . . . -73.12 -6.76 69.54 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.054 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 20.7 t70 -107.95 19.91 19.42 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.686 1.194 . . . . 0.0 108.491 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -147.19 -54.0 0.22 Allowed 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.623 -0.673 . . . . 0.0 112.188 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -145.04 24.13 1.48 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.468 0.651 . . . . 0.0 109.266 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.554 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 6.5 mmpt? 65.4 175.9 0.21 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.309 -171.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.442 HD12 ' OE2' ' B' ' 21' ' ' GLU . 50.2 tp -112.53 149.02 33.27 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -172.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.41 ' HD2' ' OE2' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -72.57 157.0 38.41 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 120.084 -0.647 . . . . 0.0 112.012 178.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' B' ' 32' ' ' LEU . 21.3 ptmt -67.27 -24.32 65.77 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.825 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.525 ' OG ' ' HA2' ' B' ' 64' ' ' GLY . 7.5 m -67.61 -31.22 71.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.186 0.517 . . . . 0.0 110.229 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.2 -22.35 28.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.395 0.617 . . . . 0.0 109.712 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.438 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -59.51 -23.44 62.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.347 1.059 . . . . 0.0 108.955 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.575 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 1.5 tmmt? -49.98 -48.01 52.54 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.908 1.283 . . . . 0.0 111.025 174.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.575 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 48.8 mt-10 -74.81 -24.96 58.72 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.888 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -74.82 -42.85 57.26 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.438 HG12 ' O ' ' B' ' 32' ' ' LEU . 4.4 pt -67.21 -30.93 50.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.397 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -57.94 -33.54 68.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -94.73 -31.83 13.61 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 46.9 mm-40 -100.89 -23.25 14.6 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.564 HD23 HG23 ' B' ' 77' ' ' VAL . 1.8 tm? -115.12 -55.31 2.48 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -77.77 164.88 24.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 75.12 -0.15 3.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.99 1.316 . . . . 0.0 110.092 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.39 -61.31 0.92 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.584 0.754 . . . . 0.0 108.973 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.57 86.07 5.49 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -106.77 -20.97 13.18 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -129.72 88.39 2.67 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.243 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mt -140.15 -87.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.897 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.17 23.41 0.74 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.439 ' HB2' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -96.51 -11.38 25.56 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.481 -1.236 . . . . 0.0 114.179 -171.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.07 -41.42 75.1 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -173.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.41 -45.45 16.06 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.135 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.509 -171.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' B' ' 57' ' ' MET . 85.6 t -56.18 -40.88 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.86 -44.11 94.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.609 0.242 . . . . 0.0 111.002 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -64.13 -34.96 79.25 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.792 0.806 . . . . 0.0 109.687 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.429 HG22 ' HD1' ' B' ' 76' ' ' PHE . 19.8 t -67.77 -42.9 86.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.978 176.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -68.33 -26.02 65.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.68 0.752 . . . . 0.0 109.974 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.99 -59.05 2.94 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.877 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -59.14 -42.4 90.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.59 -41.52 77.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.94 -35.0 57.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.42 -55.49 8.92 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.199 -0.909 . . . . 0.0 113.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.89 -63.65 1.1 Allowed 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.525 ' HA2' ' OG ' ' B' ' 30' ' ' SER . . . 75.35 -65.02 2.42 Favored Glycine 0 C--O 1.248 1.004 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.751 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.92 -59.48 0.24 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 127.237 2.215 . . . . 0.0 114.638 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.38 -36.71 1.92 Allowed Glycine 0 C--N 1.285 -2.288 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -147.79 155.36 41.59 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' B' ' 72' ' ' GLU . 17.3 t -100.99 130.9 47.05 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.76 160.33 26.24 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -63.79 -29.62 70.8 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.445 0.641 . . . . 0.0 109.596 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -69.14 -30.28 68.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.044 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.644 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 13.9 mm-40 -64.59 -52.79 55.73 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.704 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -58.42 -46.72 85.91 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.78 -50.26 66.48 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.763 0.664 . . . . 0.0 110.727 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.408 ' HA ' ' HE1' ' A' ' 70' ' ' PHE . . . -62.57 -49.5 75.04 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.98 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.429 ' HD1' HG22 ' B' ' 56' ' ' VAL . 70.7 m-85 -62.79 -49.08 76.37 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.642 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -68.55 -35.64 71.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.93 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.38 -37.92 63.31 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.538 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' B' ' 83' ' ' ALA 0.271 24.0 ptt? -77.09 -22.81 52.2 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 118.812 -1.155 . . . . 0.0 112.652 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.454 HG21 HD11 ' B' ' 40' ' ' LEU . 27.7 m -78.5 -40.94 24.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.059 173.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.3 m -74.83 -33.28 62.14 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.277 0.561 . . . . 0.0 111.746 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.9 m -122.03 -60.35 1.58 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.699 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 74.15 141.38 0.06 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.549 1.139 . . . . 0.0 112.667 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.85 -93.73 0.03 OUTLIER 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.194 1.398 . . . . 0.0 112.618 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -155.76 49.0 0.52 Allowed 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 CA--C 1.563 1.477 0 CA-C-O 121.861 0.839 . . . . 0.0 110.558 -178.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -87.16 -44.49 11.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.944 0.402 . . . . 0.0 110.028 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.38 80.52 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 35.3 tt0 -55.46 -52.91 62.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.28 -40.74 82.72 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 123.624 0.577 . . . . 0.0 110.75 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -60.11 -47.79 84.42 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.398 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -66.14 -48.9 69.28 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.846 0.355 . . . . 0.0 110.371 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.58 -34.01 67.49 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.658 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.55 96.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.765 0.257 . . . . 0.0 110.505 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 94.4 mt -58.73 -42.2 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.296 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 pt -86.04 -25.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 38.2 t70 -80.91 -33.82 33.9 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.653 -0.654 . . . . 0.0 111.866 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.53 -34.54 70.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 172.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.64 -41.28 92.8 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.658 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 43.1 t60 -57.7 -46.97 83.64 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.756 1.222 . . . . 0.0 110.439 173.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 96.8 mt-30 -63.01 -40.65 98.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.912 0.485 . . . . 0.0 111.22 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.92 3.29 8.5 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.909 0.385 . . . . 0.0 111.746 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m 62.81 22.84 13.63 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 124.616 1.166 . . . . 0.0 113.328 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.75 55.52 4.89 Favored Glycine 0 C--O 1.202 -1.874 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.56 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.6 -59.67 1.99 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.64 93.62 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.968 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -93.64 171.14 9.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.67 71.47 5.14 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.376 0.608 . . . . 0.0 110.654 -171.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 73.08 -17.68 0.4 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.108 1.763 . . . . 0.0 112.003 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HD2' ' HB3' ' A' ' 69' ' ' ASP . 22.8 mtmt -152.26 162.43 41.15 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -95.75 142.23 28.28 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HD3' ' HG2' ' A' ' 67' ' ' GLU . 42.1 mmtm -59.45 136.33 57.94 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 173.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HE3' ' OD1' ' A' ' 63' ' ' ASP . 66.0 mttm -56.31 -36.24 68.46 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.665 -177.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.591 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 38.3 m -58.79 -30.71 67.79 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.58 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.61 -16.82 38.01 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.2 tm? -61.07 -22.46 64.63 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.591 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.76 -42.97 72.32 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.973 171.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.53 -44.2 97.49 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 122.077 0.941 . . . . 0.0 109.371 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 1.3 tm? -60.44 -57.07 14.31 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 113.515 -1.675 . . . . 0.0 109.469 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 40' ' ' LEU . 12.3 pt -61.9 -34.68 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -64.44 -51.5 62.8 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.611 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -109.55 -71.13 0.77 Allowed 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -90.05 69.05 7.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.54 1.162 . . . . 0.0 110.984 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 36' ' ' ILE . 10.1 tt -139.14 -74.93 0.37 Allowed 'General case' 0 C--N 1.281 -2.381 0 CA-C-N 113.224 -1.807 . . . . 0.0 106.499 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 m 178.18 170.64 0.74 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -125.1 26.85 6.84 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-O 121.862 0.839 . . . . 0.0 109.275 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 75.98 131.8 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.972 -1.922 . . . . 0.0 113.565 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -116.49 -80.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -170.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.96 -43.6 5.73 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.286 0.565 . . . . 0.0 110.136 -174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 81' ' ' THR . 1.0 OUTLIER -85.17 117.57 24.2 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 mm -115.91 85.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 121.926 0.869 . . . . 0.0 109.14 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -119.32 12.18 12.44 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.452 1.12 . . . . 0.0 109.952 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.67 -44.17 87.08 Favored 'General case' 0 C--N 1.265 -3.065 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.48 -42.62 61.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -82.82 -48.51 10.7 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.282 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -72.25 -29.35 31.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 91.9 t -68.85 -31.17 49.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.617 0.722 . . . . 0.0 109.69 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.0 -41.34 62.02 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -65.23 -37.08 86.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.582 HG23 ' CD1' ' A' ' 76' ' ' PHE . 10.5 p -64.24 -33.64 63.88 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.084 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.4 mmt -65.62 -37.84 87.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.048 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -69.26 -61.37 1.82 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.069 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -55.51 -40.05 71.28 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 tp -54.85 -40.99 70.23 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.72 0.637 . . . . 0.0 111.843 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.46 -38.77 11.25 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.527 0.679 . . . . 0.0 111.313 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -64.48 -26.0 68.24 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.029 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.561 ' OD1' ' HE3' ' A' ' 29' ' ' LYS . 17.2 t70 -52.9 -41.11 64.08 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.19 0.519 . . . . 0.0 110.566 176.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.53 -33.25 4.65 Favored Glycine 0 C--N 1.319 -0.379 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -52.35 -54.56 30.14 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.313 0.557 . . . . 0.0 112.501 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' H ' ' HE2' ' A' ' 29' ' ' LYS . . . 113.99 -36.34 4.06 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.863 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' HD3' ' A' ' 28' ' ' LYS . 36.5 mt-10 -111.5 144.99 39.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 117.89 0.845 . . . . 0.0 111.165 -175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.556 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 8.9 t -126.42 143.25 51.25 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.699 0.799 . . . . 0.0 108.874 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.627 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.3 p30 -138.24 -179.97 6.1 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.387 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -44.0 -34.88 1.86 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.402 1.881 . . . . 0.0 114.304 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -63.45 -45.2 91.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.373 0.606 . . . . 0.0 110.68 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 51.7 mt-10 -74.9 -31.97 61.7 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.543 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 77' ' ' VAL . 5.5 m-85 -55.94 -49.13 74.38 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -52.37 59.53 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.169 0.918 . . . . 0.0 110.565 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.44 -51.47 69.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.404 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CD1' HG23 ' A' ' 56' ' ' VAL . 52.0 m-85 -63.64 -49.15 74.39 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.346 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 73' ' ' PHE . 13.6 p -64.36 -36.93 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.31 72.46 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.506 ' HA ' ' HA ' ' A' ' 83' ' ' ALA 0.262 24.5 ptt? -79.41 -33.32 42.73 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 117.645 -1.622 . . . . 0.0 113.327 -178.454 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.55 -39.28 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.39 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 9.5 m -85.73 -65.58 1.0 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.553 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -87.61 -35.09 18.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.229 -170.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 79' ' ' MET . . . 65.89 25.76 11.14 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.019 1.327 . . . . 0.0 111.035 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.2 m 72.28 -37.47 0.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.817 1.647 . . . . 0.0 114.477 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -97.65 50.15 1.04 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.811 -0.556 . . . . 0.0 112.17 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.275 8.0 mm-40 . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 41.2 t-80 . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 4.4 mm-40 . . . . . 0 C--O 1.256 1.412 0 C-N-CA 129.996 3.319 . . . . 0.0 103.793 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.542 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.86 -45.79 18.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.039 0.447 . . . . 0.0 109.96 -171.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -35.99 81.37 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 1' ' ' SER . 33.4 tt0 -54.57 -53.0 60.33 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 126.042 1.737 . . . . 0.0 111.157 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.414 ' HA ' HG12 ' B' ' 8' ' ' VAL . 52.4 mtmt -59.76 -42.1 92.49 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 123.779 0.674 . . . . 0.0 110.677 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.13 84.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -66.01 -47.16 75.39 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.891 0.376 . . . . 0.0 110.197 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 5' ' ' LYS . 14.8 p -66.75 -36.19 76.63 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.801 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.5 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -60.86 -41.99 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.005 0.366 . . . . 0.0 110.795 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.22 -42.75 95.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.323 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.63 -25.54 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 30.2 t70 -76.96 -37.42 55.28 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 122.082 -0.386 . . . . 0.0 111.413 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -65.08 -42.37 94.18 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.421 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 29.8 t60 -57.55 -46.73 83.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.834 1.254 . . . . 0.0 110.656 173.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 96.7 mt-30 -64.22 -39.48 94.06 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.902 0.481 . . . . 0.0 111.304 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.09 3.3 8.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.147 0.498 . . . . 0.0 111.628 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.3 m 61.92 25.79 15.53 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.971 1.308 . . . . 0.0 112.965 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.12 52.94 4.7 Favored Glycine 0 C--O 1.205 -1.685 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.45 -35.84 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -107.07 -58.32 1.96 Allowed 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.32 -51.99 52.6 Favored Glycine 0 CA--C 1.501 -0.826 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.688 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.84 173.77 9.19 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 72.21 8.01 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.207 0.527 . . . . 0.0 110.557 -171.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 72.59 -16.88 0.42 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.891 1.676 . . . . 0.0 111.9 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.625 ' HD2' ' HB3' ' B' ' 69' ' ' ASP . 26.2 mtmt -154.03 161.54 41.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 -177.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.1 142.52 27.46 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 118.308 0.504 . . . . 0.0 109.815 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HD3' ' HG2' ' B' ' 67' ' ' GLU . 42.5 mmtm -58.65 137.27 57.64 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.356 173.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.53 ' HG2' ' HB2' ' B' ' 68' ' ' CYS . 63.3 mttm -58.43 -36.46 73.68 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.692 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.629 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 20.6 m -59.18 -29.57 67.56 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.578 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -85.4 -17.02 37.89 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 35' ' ' LEU . 3.3 tm? -61.01 -22.83 64.91 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.629 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.69 -41.31 70.1 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.956 171.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.751 0.786 . . . . 0.0 110.096 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.485 ' HG ' ' CE2' ' B' ' 73' ' ' PHE . 1.4 tm? -59.91 -55.61 32.02 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.362 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.02 -35.53 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.88 -37.5 73.02 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -115.03 -76.3 0.58 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -85.56 67.0 9.95 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 122.509 1.147 . . . . 0.0 111.733 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tt -136.26 -70.97 0.46 Allowed 'General case' 0 C--N 1.279 -2.491 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 173.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.2 t 169.66 177.84 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -128.41 28.72 5.42 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.715 0.769 . . . . 0.0 110.077 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 75.2 125.79 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.269 168.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.84 -84.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.07 -43.14 7.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.828 0.823 . . . . 0.0 110.436 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.57 111.72 18.82 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.28 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.491 0.662 . . . . 0.0 109.246 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -120.01 5.93 10.85 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.209 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -43.78 88.34 Favored 'General case' 0 C--N 1.273 -2.756 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -49.99 -44.77 51.12 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.47 -46.71 12.17 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.058 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.98 -31.31 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' B' ' 57' ' ' MET . 98.6 t -67.4 -30.46 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 122.046 0.927 . . . . 0.0 109.323 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.43 -44.02 63.01 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.875 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -66.92 -33.87 76.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.435 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' B' ' 76' ' ' PHE . 11.2 p -64.98 -35.11 74.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -65.7 -30.61 71.31 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.296 0.57 . . . . 0.0 110.25 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.16 -61.29 2.05 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.01 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 p -54.72 -39.54 68.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 tp -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.281 0.562 . . . . 0.0 112.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -98.6 -32.75 11.27 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.449 0.643 . . . . 0.0 111.24 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.72 -26.15 62.36 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.915 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.493 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 17.4 t70 -53.23 -45.8 68.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.176 0.512 . . . . 0.0 109.858 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.55 -27.43 12.22 Favored Glycine 0 C--O 1.238 0.348 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.21 -49.26 69.83 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 117.504 0.652 . . . . 0.0 112.261 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.37 -32.51 6.94 Favored Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.651 -0.785 . . . . 0.0 114.213 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.508 ' HG2' ' HD3' ' B' ' 28' ' ' LYS . 46.9 mt-10 -116.76 139.72 50.25 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 118.037 0.919 . . . . 0.0 111.378 -175.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.53 ' HB2' ' HG2' ' B' ' 29' ' ' LYS . 8.9 t -120.86 145.24 47.83 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.625 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 2.9 p30 -139.87 179.09 6.8 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -44.62 -34.28 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.061 1.744 . . . . 0.0 114.884 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -63.74 -44.34 93.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.419 0.628 . . . . 0.0 109.922 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 46.7 mt-10 -75.58 -32.68 60.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.583 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.554 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.7 m-85 -55.55 -48.31 74.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -52.51 62.34 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.254 0.971 . . . . 0.0 110.55 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.99 -52.19 66.55 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.211 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.589 ' CD1' HG23 ' B' ' 56' ' ' VAL . 53.9 m-85 -63.38 -50.15 71.04 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.496 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.554 HG12 ' O ' ' B' ' 73' ' ' PHE . 14.1 p -63.62 -37.42 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.667 0.27 . . . . 0.0 111.467 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.35 71.88 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.264 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' B' ' 83' ' ' ALA . 26.0 ptt? -79.65 -32.9 41.63 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 117.799 -1.56 . . . . 0.0 113.119 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -67.58 -39.52 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.329 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 10.0 m -85.84 -66.15 0.93 Allowed 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.462 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -88.68 -31.54 18.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.388 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 79' ' ' MET . . . 63.27 27.62 15.51 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.642 1.177 . . . . 0.0 111.058 -175.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m 69.06 -27.66 0.15 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.635 1.574 . . . . 0.0 115.218 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -101.82 27.71 6.26 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.269 14.8 mm-40 . . . . . 0 C--N 1.313 -0.997 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 3.0 m . . . . . 0 C--O 1.241 0.655 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -74.33 -51.68 14.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -170.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' B' ' 39' ' ' GLU . 1.1 tm? -68.78 -34.92 76.38 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 29.3 tt0 -52.6 -56.11 17.67 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.613 1.565 . . . . 0.0 111.933 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -24.25 67.62 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.37 -42.89 71.19 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.507 ' SD ' HG22 ' B' ' 77' ' ' VAL . 51.4 ttp -63.14 -41.51 99.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.028 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.6 t -59.37 -44.81 93.32 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.997 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.127 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 92.4 mt -59.19 -44.0 92.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.665 0.269 . . . . 0.0 111.247 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -80.22 -32.15 13.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 16.5 t70 -72.43 -31.11 65.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.628 0.727 . . . . 0.0 110.75 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' HE21 ' A' ' 16' ' ' GLN . 42.9 t -69.03 -39.41 79.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.82 -49.35 78.05 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.057 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.531 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 10.1 t60 -44.7 -45.46 9.81 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.77 2.028 . . . . 0.0 112.365 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 HE21 ' HA ' ' A' ' 13' ' ' VAL . 46.5 mt-30 -65.73 -47.16 76.26 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -176.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.512 ' OH ' ' HG2' ' A' ' 24' ' ' LYS 0.315 1.8 p90 36.69 -128.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 m -157.79 -60.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.754 0.422 . . . . 0.0 110.847 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.47 116.5 4.28 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.175 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -21.47 66.35 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -101.76 -56.4 2.29 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.676 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.05 -54.03 8.59 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.751 -0.659 . . . . 0.0 114.217 -174.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -78.56 -17.73 55.69 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.352 0.596 . . . . 0.0 111.071 -173.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 5.1 tmtm? -71.83 -41.76 67.8 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.6 -56.15 15.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.758 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 48.4 mtmt -145.31 153.5 41.33 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.13 -41.18 74.28 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.642 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER 73.93 134.24 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.81 1.244 . . . . 0.0 111.697 -173.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' HG ' ' A' ' 60' ' ' LEU . 13.9 mptt -62.73 -36.97 84.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 3.9 m -59.41 -35.01 73.18 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.871 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -85.58 -22.21 28.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.639 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.21 -29.94 70.74 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.6 tmmt? -55.78 -46.23 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 173.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -76.11 -30.7 58.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.14 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -51.45 69.92 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 32' ' ' LEU . 18.2 pt -68.25 -40.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -51.14 -37.3 45.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.79 -46.43 4.7 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.786 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -93.14 -15.61 25.81 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -173.003 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 3.7 tt -79.74 -65.07 1.05 Allowed 'General case' 0 C--O 1.204 -1.321 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -165.06 146.88 7.82 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -103.22 -58.34 1.89 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.537 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.51 52.38 1.53 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.891 0.853 . . . . 0.0 113.123 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.39 30.06 7.4 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HA ' ' CD ' ' A' ' 49' ' ' GLU . 34.0 mt-10 -85.72 25.99 1.02 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.158 -174.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.03 8.31 17.05 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.784 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.3 mt -104.84 -85.01 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -167.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -154.58 17.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 0.0 109.24 -173.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' CD ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -95.05 -12.95 25.66 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -171.251 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.41 -39.52 70.32 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.83 -42.99 17.17 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.868 0.842 . . . . 0.0 111.221 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 2.4 t -75.74 -25.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.534 -169.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 56' ' ' VAL . 71.6 t -65.93 -39.87 85.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.565 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.78 -35.68 79.11 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.508 -0.877 . . . . 0.0 109.38 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' N ' ' HE3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -67.41 -37.41 83.01 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.152 177.492 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.723 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 9.0 p -67.75 -36.3 75.49 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.146 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -69.13 -37.63 78.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.364 0.602 . . . . 0.0 109.998 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.47 -54.09 28.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.993 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 p -62.4 -39.84 94.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.498 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.723 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 9.9 tp -46.56 -49.31 18.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.149 1.379 . . . . 0.0 109.924 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.18 -45.41 13.94 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.753 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -76.52 -34.18 58.59 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.69 -55.21 28.88 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.62 -139.32 5.42 Favored Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 117.284 -2.389 . . . . 0.0 116.091 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.87 157.57 7.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 113.099 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -95.44 46.87 1.95 Allowed Glycine 0 N--CA 1.408 -3.231 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.352 -172.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 11.0 pt-20 -112.13 152.03 28.77 Favored 'General case' 0 C--N 1.27 -2.878 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.8 m -130.35 118.55 21.42 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.116 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' HD1' ' A' ' 73' ' ' PHE . 34.1 t70 -98.21 160.13 14.49 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.215 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' B' ' 78' ' ' ALA . 42.1 p90 -57.03 -31.46 65.17 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.112 0.565 . . . . 0.0 111.543 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.06 -36.5 83.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.756 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.17 -39.2 65.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.536 ' O ' HG12 ' A' ' 77' ' ' VAL . 22.7 m-85 -51.53 -59.02 4.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.665 0.603 . . . . 0.0 111.164 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -43.65 89.69 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.798 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.56 65.18 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.183 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 56' ' ' VAL . 37.9 m-85 -60.95 -55.76 29.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.168 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG22 ' SD ' ' B' ' 7' ' ' MET . 7.3 p -59.28 -46.35 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -175.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB3' ' CE1' ' B' ' 70' ' ' PHE . . . -77.39 -26.95 52.3 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.085 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -80.75 -31.72 35.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.178 -1.409 . . . . 0.0 111.107 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 33.6 m -72.47 -39.82 62.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.122 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.219 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -83.81 -23.86 31.24 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -147.09 -56.81 0.25 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.52 60.43 1.37 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 110.973 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.8 m 60.1 -91.47 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.753 1.221 . . . . 0.0 111.405 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 33.25 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -168.329 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 CA--C 1.497 -1.095 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG3' ' ND1' ' B' ' 15' ' ' HIS 0.301 8.5 pt-20 . . . . . 0 C--O 1.254 1.32 0 O-C-N 125.755 1.909 . . . . 0.0 109.808 -170.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 2.2 m . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 4.2 tp10 -73.78 -49.75 23.86 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -171.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 1.1 tm? -69.51 -34.36 74.18 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.65 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 29.4 tt0 -54.5 -53.67 51.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.265 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -62.93 -26.25 68.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -71.08 -42.04 69.9 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 77' ' ' VAL . 53.3 ttp -62.96 -42.01 99.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.664 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 4' ' ' GLU . 66.8 t -59.15 -44.64 92.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.974 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.55 98.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.307 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 94.0 mt -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.739 0.304 . . . . 0.0 111.056 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -80.13 -30.52 12.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 12.7 t70 -72.42 -32.42 66.33 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.544 0.688 . . . . 0.0 109.559 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.416 ' HA ' HE21 ' B' ' 16' ' ' GLN . 44.1 t -68.41 -41.15 83.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.359 173.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.02 -49.73 76.79 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.003 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.522 ' ND1' ' HG3' ' A' ' 91' ' ' GLU . 9.1 t60 -44.94 -45.28 10.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.51 1.924 . . . . 0.0 112.164 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.416 HE21 ' HA ' ' B' ' 13' ' ' VAL . 51.1 mt-30 -62.25 -50.84 70.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.419 ' OH ' ' HG2' ' B' ' 24' ' ' LYS 0.286 2.1 p90 37.33 -135.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -175.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 62.1 m -151.15 -64.98 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.741 -0.599 . . . . 0.0 110.587 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.0 115.74 4.59 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.829 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -20.31 66.44 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 123.272 0.629 . . . . 0.0 112.666 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.64 -58.59 1.85 Allowed 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.8 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.24 -54.51 13.22 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.418 0.527 . . . . 0.0 114.418 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -77.73 -15.84 58.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.284 0.564 . . . . 0.0 111.049 -173.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.501 ' HD3' ' O ' ' B' ' 24' ' ' LYS . 4.7 tmtm? -75.57 -36.76 60.29 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -69.7 -52.8 22.39 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.879 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' B' ' 67' ' ' GLU . 51.9 mtmt -148.56 155.09 40.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 173.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.08 -41.36 67.44 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.1 OUTLIER 74.48 136.85 0.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.914 1.286 . . . . 0.0 111.767 -173.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.445 ' HB3' ' HG ' ' B' ' 60' ' ' LEU . 13.4 mptt -65.14 -37.07 86.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 9.5 m -62.95 -32.69 74.06 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.063 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -85.4 -21.91 28.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.427 0.632 . . . . 0.0 110.282 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.95 -28.85 70.36 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.474 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 2.4 tmmt? -55.22 -47.45 75.32 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 110.795 173.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.474 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 46.4 mt-10 -76.74 -29.11 56.02 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.014 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -51.69 68.64 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 32' ' ' LEU . 18.0 pt -68.75 -40.78 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -49.54 -36.68 24.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.4 1.08 . . . . 0.0 111.833 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -104.63 -52.68 2.84 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -88.03 -14.48 38.89 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -171.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.647 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 3.9 tt -79.99 -64.7 1.13 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -162.5 147.54 12.29 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -103.95 -49.82 3.54 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.07 174.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -127.74 34.96 4.56 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.32 30.36 2.86 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.767 0.794 . . . . 0.0 109.022 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' CD ' ' B' ' 49' ' ' GLU . 43.0 mt-10 -84.87 28.04 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.743 -176.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.16 13.15 15.69 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.141 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mt -108.71 -91.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -147.59 16.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.487 1.136 . . . . 0.0 109.122 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -89.08 -21.45 23.4 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -170.531 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -53.41 -39.5 64.36 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.83 -43.79 17.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.879 0.847 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 2.6 t -75.55 -25.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.314 -170.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.531 ' O ' HG12 ' B' ' 56' ' ' VAL . 75.9 t -65.89 -37.96 81.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.288 0.566 . . . . 0.0 110.027 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.64 -37.54 76.81 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.432 ' HE3' ' N ' ' B' ' 55' ' ' LYS . 0.4 OUTLIER -66.61 -36.66 83.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.182 178.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.756 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 7.7 p -67.75 -35.71 73.47 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.491 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -70.69 -36.51 73.32 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.411 0.624 . . . . 0.0 110.012 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.75 -57.1 9.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.298 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.0 p -61.8 -39.79 92.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.307 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.756 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 10.7 tp -48.0 -39.31 19.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.949 1.299 . . . . 0.0 110.794 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.68 -39.71 9.76 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.226 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.17 -34.33 49.67 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.22 -48.99 75.95 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.34 -132.58 2.54 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 117.227 -2.416 . . . . 0.0 116.007 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -71.96 159.85 33.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.451 0.7 . . . . 0.0 112.094 -172.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -93.29 45.28 2.43 Favored Glycine 0 N--CA 1.412 -2.911 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.882 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.499 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 13.5 pt-20 -109.21 151.19 26.83 Favored 'General case' 0 C--N 1.268 -2.976 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.437 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 61.7 m -130.67 117.71 19.88 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.572 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.43 ' O ' ' HD1' ' B' ' 73' ' ' PHE . 16.1 t70 -95.54 160.48 14.49 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 78' ' ' ALA . 34.8 p90 -58.13 -31.0 66.77 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.174 0.59 . . . . 0.0 111.284 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.53 -36.48 83.93 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.509 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 39.7 mt-10 -73.49 -39.73 64.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.531 ' O ' HG12 ' B' ' 77' ' ' VAL . 23.5 m-85 -51.63 -59.43 4.28 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.799 0.687 . . . . 0.0 111.256 175.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -42.99 87.86 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.808 0.693 . . . . 0.0 111.76 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.09 50.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.036 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.607 ' CD1' HG23 ' B' ' 56' ' ' VAL . 38.6 m-85 -59.86 -55.72 30.73 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.125 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.537 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.3 p -59.53 -46.88 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.41 ' HB3' ' CE1' ' A' ' 70' ' ' PHE . . . -77.23 -24.12 51.25 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.03 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -83.39 -34.12 25.62 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 118.445 -1.302 . . . . 0.0 111.028 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.51 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 33.3 m -70.3 -39.08 76.26 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.203 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 m -83.94 -23.26 31.19 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.701 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.9 m -150.04 -56.16 0.17 Allowed 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 63.59 59.63 1.18 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.216 1.006 . . . . 0.0 111.845 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 m 62.41 -93.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 35.93 -90.28 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 C--O 1.255 1.364 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -169.433 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.431 -1.405 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.46 -42.81 24.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -34.12 75.3 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -44.42 -60.48 1.93 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.601 1.16 . . . . 0.0 110.481 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -79.71 -21.01 45.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.547 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -68.41 -45.51 72.43 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.525 176.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.442 ' HG3' HG22 ' B' ' 77' ' ' VAL . 17.2 tmm? -59.95 -41.91 92.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.305 0.574 . . . . 0.0 109.7 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.31 -37.18 77.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.541 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.26 85.03 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.1 mp -59.42 -35.16 73.47 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.235 0.541 . . . . 0.0 110.524 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.91 -45.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.201 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.8 t70 -65.84 -38.11 88.0 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -68.87 -34.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.187 0.518 . . . . 0.0 109.85 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -68.74 -39.77 80.17 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 11.0 t60 -56.33 -40.2 74.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.617 1.967 . . . . 0.0 110.854 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 16.1 mm100 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -86.47 150.83 24.0 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.329 0.585 . . . . 0.0 112.075 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -73.4 37.67 0.09 Allowed 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.318 1.447 . . . . 0.0 114.854 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.3 -8.67 3.19 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.256 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -57.76 -18.93 24.39 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -132.89 -50.63 0.89 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 121.97 -0.456 . . . . 0.0 110.293 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.6 75.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.588 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 14.1 t70 -87.31 -96.44 0.09 Allowed 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.412 -0.915 . . . . 0.0 112.132 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 24.0 tptm -117.42 22.47 12.41 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.1 t60 71.51 13.49 6.43 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.282 -1.781 . . . . 0.0 106.896 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 53.8 mtmt -163.99 -177.58 5.14 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . 8.6 mp -111.02 147.42 34.8 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 119.485 1.039 . . . . 0.0 110.019 -173.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -65.83 163.0 17.71 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 99.4 mttt -67.98 -29.72 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.438 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 15.7 m -65.4 -22.89 66.84 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.946 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 27' ' ' LEU . 16.9 mm-40 -85.91 -28.45 24.34 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.791 0.805 . . . . 0.0 109.847 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.1 tm? -60.85 -22.65 64.45 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.754 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HE3' ' O ' ' A' ' 30' ' ' SER . 3.1 ttmt -52.23 -50.94 61.01 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.481 175.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.59 -39.02 93.32 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.906 0.86 . . . . 0.0 110.107 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.632 HD21 ' CE2' ' A' ' 73' ' ' PHE . 26.4 tp -63.71 -51.21 66.01 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.522 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.6 pt -68.34 -25.55 31.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -55.6 -37.71 68.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.581 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -112.73 -61.23 1.76 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.03 71.89 10.15 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 123.022 1.392 . . . . 0.0 112.385 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 77' ' ' VAL . 4.9 tt -131.01 -64.91 0.8 Allowed 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 173.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -166.73 55.44 0.09 Allowed 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.266 1.426 . . . . 0.0 107.849 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.5 m80 70.36 -67.95 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.919 1.288 . . . . 0.0 112.949 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -134.51 -80.52 0.45 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 57.4 mt 59.09 98.72 0.02 OUTLIER 'General case' 0 C--N 1.341 0.203 0 O-C-N 124.637 1.211 . . . . 0.0 110.776 -173.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -135.51 -9.63 2.17 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.1 10.57 5.87 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -171.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 48' ' ' LYS . 3.1 mp -113.88 -72.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 118.473 -1.291 . . . . 0.0 113.244 -170.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HG2' HG22 ' A' ' 47' ' ' ILE . 13.9 mmmm -123.77 -52.06 1.8 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 122.778 1.275 . . . . 0.0 109.381 -175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -56.5 -29.43 61.8 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.063 2.545 . . . . 0.0 114.024 -173.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -55.87 -22.14 23.84 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.22 -47.29 13.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.466 HG12 HG23 ' A' ' 56' ' ' VAL . 22.0 t -85.43 -26.91 6.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -169.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 57' ' ' MET . 78.1 t -55.44 -43.72 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.092 0.406 . . . . 0.0 111.705 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 30.7 t70 -63.79 -44.82 92.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -62.58 -34.28 76.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.053 0.941 . . . . 0.0 110.514 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 52' ' ' VAL . 5.0 t -68.33 -41.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 124.748 1.219 . . . . 0.0 110.57 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.042 0.448 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 37.6 mm-40 -66.99 -58.24 5.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.857 173.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -59.5 -41.51 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.09 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 2.8 mp -50.35 -51.98 41.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.418 0.687 . . . . 0.0 111.248 175.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.44 -43.55 60.09 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.836 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.23 -49.22 36.9 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.736 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.91 -44.63 8.8 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.32 49.84 3.99 Favored Glycine 0 CA--C 1.499 -0.931 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -168.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -80.84 -23.85 38.84 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.583 0.706 . . . . 0.0 109.813 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.74 -56.78 3.24 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.469 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 10.0 pt-20 -178.4 179.97 0.73 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.584 0.753 . . . . 0.0 110.565 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -136.05 121.79 19.75 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -90.61 171.13 9.6 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -74.7 -17.46 60.66 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.23 -35.41 73.84 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.949 -1.101 . . . . 0.0 109.494 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -77.26 -30.31 54.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CE2' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.53 -51.95 51.01 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 171.145 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.8 -51.67 68.32 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.325 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.93 -51.77 54.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.01 -49.93 70.5 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.5 p -67.5 -32.56 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.408 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.87 29.92 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.832 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -67.0 -40.77 87.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 40' ' ' LEU . 34.2 m -62.38 -31.78 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.441 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 m -84.12 -36.13 23.17 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.861 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 p -94.45 -22.17 18.45 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -35.58 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 85' ' ' HIS . 24.5 p 169.87 -48.88 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 126.918 2.087 . . . . 0.0 106.361 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 84' ' ' CYS . 3.0 m170 -157.48 -166.49 2.04 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 102.204 -3.258 . . . . 0.0 102.204 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.281 -2.41 0 CA-C-N 119.062 0.846 . . . . 0.0 109.723 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -171.499 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 42.9 m . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.05 -43.93 32.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.79 -33.18 70.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' B' ' 1' ' ' SER . 8.4 tp10 -46.28 -57.01 4.96 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.708 1.203 . . . . 0.0 110.662 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -83.06 -21.6 33.72 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.503 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -66.29 -47.23 74.3 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 122.982 0.176 . . . . 0.0 110.901 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.426 ' HG3' HG22 ' A' ' 77' ' ' VAL . 17.0 tmm? -58.19 -41.93 85.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.35 0.595 . . . . 0.0 110.021 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.34 -37.48 78.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.724 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.41 89.56 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.503 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.2 mp -59.93 -34.66 73.54 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.196 0.522 . . . . 0.0 110.526 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.0 mt -80.42 -45.75 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.316 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 38.5 t70 -66.93 -36.54 82.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.4 -33.56 58.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.83 -39.07 76.69 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 7.8 t60 -57.68 -41.32 81.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.186 1.794 . . . . 0.0 110.73 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 16.3 mm100 -64.43 -35.13 79.93 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.069 0.548 . . . . 0.0 112.288 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -73.82 149.78 41.43 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.382 0.611 . . . . 0.0 112.631 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -75.18 50.51 0.49 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.349 1.06 . . . . 0.0 113.72 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.16 -2.44 0.99 Allowed Glycine 0 C--N 1.312 -0.79 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.563 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -16.45 58.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.681 0.792 . . . . 0.0 112.934 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.11 -55.69 0.86 Allowed 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.77 72.88 Favored Glycine 0 C--N 1.319 -0.404 0 N-CA-C 116.281 1.272 . . . . 0.0 116.281 -173.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.595 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 14.5 t70 -79.31 -90.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.957 0.879 . . . . 0.0 112.773 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.519 ' HG2' ' HB3' ' B' ' 67' ' ' GLU . 24.1 tptm -122.33 18.53 10.62 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 t60 75.11 11.9 3.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.755 -169.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.595 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 52.8 mtmt -164.5 179.65 6.56 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' B' ' 31' ' ' GLU . 8.3 mp -108.25 147.89 30.75 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 119.506 1.048 . . . . 0.0 110.167 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -65.65 162.37 18.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 168.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 99.5 mttt -67.73 -30.47 69.96 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.487 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.535 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 15.9 m -64.29 -23.7 67.39 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 27' ' ' LEU . 11.4 mm-40 -85.76 -31.07 22.58 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.653 0.74 . . . . 0.0 109.628 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.503 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -58.77 -23.24 59.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.694 1.198 . . . . 0.0 109.041 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -52.15 -48.03 65.13 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.761 1.224 . . . . 0.0 111.913 175.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.58 -34.97 74.91 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.813 0.816 . . . . 0.0 110.453 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.645 HD21 ' CE2' ' B' ' 73' ' ' PHE . 26.4 tp -64.71 -50.33 67.36 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.041 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.5 pt -68.24 -24.52 29.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -55.77 -38.59 70.09 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.438 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -112.97 -60.45 1.88 Allowed 'General case' 0 C--O 1.25 1.08 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.19 71.92 10.01 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.043 1.401 . . . . 0.0 111.959 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.523 ' HG ' HG23 ' B' ' 77' ' ' VAL . 4.6 tt -131.98 -64.75 0.77 Allowed 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 103.649 -2.723 . . . . 0.0 103.649 173.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -165.41 52.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.946 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.9 m80 71.45 -65.92 0.32 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.615 1.166 . . . . 0.0 112.015 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.93 -79.96 0.44 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.437 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 52.4 mt 59.37 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.618 1.199 . . . . 0.0 110.858 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -134.51 -5.82 2.56 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.099 -0.376 . . . . 0.0 111.695 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -135.85 9.96 3.34 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.538 HG22 ' HG2' ' B' ' 48' ' ' LYS . 2.9 mp -113.75 -76.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 C-N-CA 117.717 -1.593 . . . . 0.0 112.143 -171.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.538 ' HG2' HG22 ' B' ' 47' ' ' ILE . 14.3 mmmm -118.53 -51.99 2.38 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 122.43 1.109 . . . . 0.0 109.548 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.47 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -57.71 -30.46 65.53 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.022 2.529 . . . . 0.0 113.861 -173.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -53.57 -24.45 13.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -80.88 -46.84 14.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.469 HG12 HG23 ' B' ' 56' ' ' VAL . 19.8 t -85.69 -28.73 6.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.524 -170.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' B' ' 57' ' ' MET . 76.2 t -54.75 -43.73 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.15 0.432 . . . . 0.0 111.726 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.96 -45.91 90.23 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.379 0.609 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -62.6 -34.02 76.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.146 0.978 . . . . 0.0 110.386 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.469 HG23 HG12 ' B' ' 52' ' ' VAL . 4.6 t -68.51 -41.16 82.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.587 0 C-N-CA 124.663 1.185 . . . . 0.0 110.664 174.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.9 mmt -64.61 -36.39 84.08 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.464 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -63.24 -56.82 13.44 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 123.954 0.784 . . . . 0.0 110.481 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.4 p -60.31 -40.68 91.44 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.796 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 3.1 mp -52.77 -51.59 60.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.22 0.608 . . . . 0.0 111.289 173.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.51 -46.27 66.93 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.287 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -74.28 -49.64 22.27 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.771 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.51 -47.84 8.03 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.422 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -83.93 54.69 4.97 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 116.243 1.257 . . . . 0.0 116.243 -168.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.51 -25.61 28.7 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.688 0.756 . . . . 0.0 109.432 175.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.62 -55.56 3.87 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.911 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HB3' ' HG2' ' B' ' 24' ' ' LYS . 9.8 pt-20 -179.34 -177.91 0.47 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.939 0.896 . . . . 0.0 110.923 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.4 ' SG ' ' HG ' ' B' ' 32' ' ' LEU . 47.3 t -137.88 124.15 20.53 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 105.41 -2.071 . . . . 0.0 105.41 172.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -93.59 171.79 8.67 Favored 'General case' 0 C--N 1.278 -2.535 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -75.18 -17.64 60.33 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 122.656 0.382 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.2 -34.84 71.23 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.305 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.69 -31.25 57.11 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.645 ' CE2' HD21 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -51.11 -52.78 40.42 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 171.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -50.91 71.81 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.13 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.45 -51.45 59.22 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -64.81 -49.6 70.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.579 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.3 p -67.9 -31.6 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-O 120.961 0.41 . . . . 0.0 111.376 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.71 -51.72 38.52 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.061 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -68.83 -40.79 79.28 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.48 HG21 HD11 ' B' ' 40' ' ' LEU . 31.2 m -61.48 -31.48 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.213 0.53 . . . . 0.0 111.41 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.0 m -82.78 -45.78 13.94 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.533 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.1 p -87.35 -18.21 30.62 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -38.77 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.093 1.357 . . . . 0.0 114.411 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 21.0 p 166.06 -44.58 0.0 OUTLIER 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 127.528 2.331 . . . . 0.0 106.08 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -162.49 -162.6 0.82 Allowed 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 103.625 -2.731 . . . . 0.0 103.625 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.29 -2.015 0 CA-C-N 118.834 0.743 . . . . 0.0 111.396 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 18.5 m . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.957 0.408 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -50.19 63.21 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.13 -33.63 74.83 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.161 0.505 . . . . 0.0 111.6 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 1' ' ' SER . 37.1 tt0 -55.89 -53.7 53.63 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.989 -1.46 . . . . 0.0 109.561 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.94 -34.64 69.19 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.22 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -59.57 4.42 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.749 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -57.32 -41.89 80.81 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.56 -23.81 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.433 0.635 . . . . 0.0 110.494 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.49 -43.93 25.78 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.153 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 -41.69 98.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.87 -29.58 41.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.513 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -77.5 -53.03 8.11 Favored 'General case' 0 C--O 1.247 0.961 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.97 -26.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.442 0.697 . . . . 0.0 111.733 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.08 -46.14 82.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.774 0.83 . . . . 0.0 111.089 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -85.09 -30.9 23.68 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.98 -40.09 79.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.239 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CD1' HD13 ' A' ' 35' ' ' LEU . 83.7 t80 -68.65 -65.34 0.71 Allowed 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m -154.4 88.64 1.23 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -35.82 48.81 Favored Glycine 0 CA--C 1.496 -1.114 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -56.38 -28.06 58.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.779 -0.711 . . . . 0.0 110.585 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -91.33 -66.73 0.9 Allowed 'General case' 0 N--CA 1.413 -2.32 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.86 -43.84 39.61 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.659 1.023 . . . . 0.0 115.659 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.26 -31.28 33.79 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.139 0.495 . . . . 0.0 111.805 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.26 -61.22 1.47 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -99.46 4.46 46.12 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HG2' ' HB3' ' A' ' 67' ' ' GLU 0.264 0.0 OUTLIER 65.87 164.13 0.17 Allowed 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 125.262 1.425 . . . . 0.0 111.011 -170.931 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -78.77 -33.95 46.0 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -169.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 69.65 139.64 0.04 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.088 0.947 . . . . 0.0 110.974 -169.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.02 -19.78 59.91 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.764 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 13.9 m -67.22 -28.69 68.27 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.459 177.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -74.61 -28.52 60.93 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.9 tm? -62.64 -26.0 68.41 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 30' ' ' SER . 3.9 tmmm? -59.55 -50.67 73.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.806 0.812 . . . . 0.0 111.459 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.34 -32.9 74.69 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.966 0.888 . . . . 0.0 110.107 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.577 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 13.6 tp -72.03 -45.74 59.7 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.708 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 2.9 pt -61.19 -36.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 121.078 0.466 . . . . 0.0 110.866 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.6 -30.68 70.85 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.421 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -122.52 -68.54 0.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -176.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.72 -14.71 56.18 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 6.7 mp -94.08 -70.41 0.71 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.529 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 t -91.63 83.67 5.37 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.76 -44.65 66.3 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.274 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.479 ' H ' HD22 ' A' ' 44' ' ' LEU . 50.4 p90 -154.49 20.39 0.47 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.388 0.613 . . . . 0.0 110.348 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 43' ' ' PHE . 2.9 mm? -91.07 20.6 4.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.677 0.751 . . . . 0.0 110.757 -173.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.591 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 34.1 mt-10 -72.09 -3.21 21.79 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.167 -175.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.82 -4.19 50.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.023 -174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -86.13 -86.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.241 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -116.02 -79.62 0.59 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' HG3' ' HA ' ' A' ' 45' ' ' GLU . 4.0 mm-40 57.8 -73.26 0.02 OUTLIER 'General case' 0 C--O 1.184 -2.386 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 170.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -48.06 -42.1 27.72 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -165.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -74.95 -46.64 34.18 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 122.043 0.925 . . . . 0.0 109.798 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 12.0 t -72.94 -33.54 43.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.639 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.616 ' O ' ' HG2' ' A' ' 57' ' ' MET . 77.1 t -63.27 -37.0 78.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 C-N-CA 123.078 0.551 . . . . 0.0 109.731 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.18 -41.64 85.55 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.691 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -67.12 -35.75 80.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.57 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.9 p -68.83 -37.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -63.14 -33.92 76.5 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.18 -62.48 1.36 Allowed 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.204 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -66.3 -49.7 66.16 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.68 -46.12 77.65 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 123.555 0.742 . . . . 0.0 111.177 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.68 -32.27 25.67 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.21 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -71.25 -42.06 69.31 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.31 -59.11 4.77 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.55 -68.51 1.51 Allowed Glycine 0 C--O 1.24 0.504 0 O-C-N 123.672 0.608 . . . . 0.0 113.744 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.07 -62.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.029 2.132 . . . . 0.0 112.558 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.31 -49.39 0.75 Allowed Glycine 0 C--N 1.291 -1.942 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.5 pm0 -116.69 151.46 36.29 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.615 176.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -113.47 119.72 38.55 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.06 160.45 24.51 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.8 -21.73 66.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.546 0.689 . . . . 0.0 110.047 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.05 -42.15 76.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 46.2 mt-10 -75.26 -28.77 59.97 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.297 0.57 . . . . 0.0 110.239 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 2.7 t80 -54.88 -45.59 74.68 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.23 46.81 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.461 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -50.5 -56.64 10.7 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -67.3 -41.51 85.24 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.425 ' HB ' HD23 ' A' ' 40' ' ' LEU . 12.0 p -70.58 -38.57 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.223 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.13 73.95 Favored 'General case' 0 N--CA 1.438 -1.051 0 O-C-N 122.022 -0.424 . . . . 0.0 111.417 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.6 ptt? -81.54 -26.7 34.85 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 118.525 -1.27 . . . . 0.0 112.535 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 31.0 m -75.35 -44.84 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.295 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.8 m -78.63 -51.95 9.15 Favored 'General case' 0 N--CA 1.407 -2.611 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.506 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.8 m -77.37 -73.58 0.29 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 42.58 68.45 0.48 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.24 1.016 . . . . 0.0 111.621 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t 70.25 -32.87 0.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.256 1.422 . . . . 0.0 113.222 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -84.64 153.13 23.35 Favored 'General case' 0 C--O 1.208 -1.091 0 O-C-N 121.719 -0.613 . . . . 0.0 111.672 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 4.2 mm-40 . . . . . 0 C--O 1.195 -1.792 0 C-N-CA 124.872 1.269 . . . . 0.0 110.846 -166.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.61 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 28.9 t-80 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.275 16.6 pt-20 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 116.427 -1.749 . . . . 0.0 108.831 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 19.3 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.845 0.355 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -47.54 66.18 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.64 -34.11 77.12 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.26 0.553 . . . . 0.0 111.296 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' B' ' 1' ' ' SER . 38.8 tt0 -55.45 -52.35 63.9 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.479 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -74.06 -34.0 63.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.336 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -57.54 7.72 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.824 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -58.21 -41.69 84.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.2 -24.9 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 121.395 0.617 . . . . 0.0 110.272 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.72 -44.38 33.63 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.33 -40.36 96.11 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.76 -29.45 37.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.762 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 33.3 t70 -77.85 -53.23 7.72 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 p -53.73 -26.87 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.599 0.76 . . . . 0.0 111.895 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -57.23 -45.72 83.65 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.822 0.849 . . . . 0.0 111.191 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -85.8 -30.21 23.18 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 18.4 mm-40 -57.91 -42.19 84.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.63 -62.6 1.42 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 63.3 m -158.81 91.13 1.03 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -34.04 49.39 Favored Glycine 0 CA--C 1.497 -1.046 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.411 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 4.6 ppt_? -54.82 -32.76 60.77 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.662 -0.769 . . . . 0.0 110.268 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HG2' ' HD2' ' B' ' 20' ' ' ARG . 14.6 mm-40 -87.18 -66.71 0.88 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.666 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.71 -43.56 38.0 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 115.521 0.968 . . . . 0.0 115.521 -169.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.52 -29.48 30.42 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -104.82 -66.91 0.94 Allowed 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -93.87 6.22 49.13 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.676 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' B' ' 67' ' ' GLU 0.268 0.0 OUTLIER 64.46 167.21 0.16 Allowed 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.367 1.467 . . . . 0.0 111.364 -171.58 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -79.96 -32.15 39.89 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.9 135.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.946 0.879 . . . . 0.0 111.083 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.25 -22.37 61.24 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.442 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 18.9 m -64.02 -27.58 69.21 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.665 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -81.44 -21.98 38.48 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 121.99 -0.444 . . . . 0.0 110.708 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -65.6 -25.81 67.56 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' B' ' 30' ' ' SER . 3.7 tmmm? -58.48 -50.75 72.59 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 122.064 0.935 . . . . 0.0 111.015 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.1 -38.44 82.95 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.32 175.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.599 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 15.8 tp -70.3 -44.23 68.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.819 -175.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 3.1 pt -62.97 -34.73 67.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 118.021 0.373 . . . . 0.0 111.246 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 -29.82 70.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.475 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -124.84 -70.82 0.73 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.47 -15.85 57.08 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -170.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 6.5 mp -93.42 -70.41 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.942 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -91.81 85.22 5.55 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -69.49 -40.23 77.16 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.394 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.445 ' H ' HD22 ' B' ' 44' ' ' LEU . 42.2 p90 -161.2 23.6 0.13 Allowed 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.445 HD22 ' H ' ' B' ' 43' ' ' PHE . 2.9 mm? -92.77 19.64 7.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.498 0.665 . . . . 0.0 110.954 -173.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' B' ' 49' ' ' GLU . 35.0 mt-10 -70.49 -1.34 10.58 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.015 1.326 . . . . 0.0 112.916 -175.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.2 -16.4 27.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.905 0.482 . . . . 0.0 112.244 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.1 -82.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -121.32 -79.65 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' B' ' 45' ' ' GLU . 2.4 mm-40 57.97 -73.43 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.315 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -49.37 -37.88 26.46 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -165.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -77.51 -47.6 19.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.889 0.852 . . . . 0.0 109.682 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 12.9 t -71.22 -35.35 57.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.716 -173.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.622 ' O ' HG12 ' B' ' 56' ' ' VAL . 76.9 t -63.28 -37.09 78.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 C-N-CA 123.156 0.582 . . . . 0.0 109.866 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -42.35 89.61 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -68.12 -35.22 77.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.703 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 53' ' ' VAL . 2.0 p -68.39 -36.19 73.87 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.674 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.3 mmt -64.99 -28.61 69.63 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 121.267 0.556 . . . . 0.0 110.131 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.88 -62.24 1.66 Allowed 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.713 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.8 p -65.13 -49.58 69.35 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.8 tp -55.92 -46.52 78.42 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 123.43 0.692 . . . . 0.0 111.07 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.39 -32.89 32.61 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.062 -176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -38.55 57.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.961 0.41 . . . . 0.0 110.141 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.16 -55.06 36.71 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.09 -72.69 0.72 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.461 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 67.6 -56.88 0.46 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.154 2.182 . . . . 0.0 112.462 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.67 -45.53 1.1 Allowed Glycine 0 C--N 1.295 -1.74 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.498 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 2.0 pm0 -119.0 152.59 36.12 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.177 -0.511 . . . . 0.0 111.31 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.7 t -114.79 119.29 36.15 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 170.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -83.49 161.55 21.21 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -63.47 -21.74 66.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.995 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 75' ' ' ALA . 97.0 mt-30 -68.31 -42.9 78.75 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.731 172.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 75' ' ' ALA . 45.5 mt-10 -75.16 -28.49 60.12 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 110.404 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.599 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 2.8 t80 -55.05 -45.97 75.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.565 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -47.14 55.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.5 175.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' B' ' 72' ' ' GLU . . . -51.12 -57.84 7.67 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -175.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.79 -39.39 87.75 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.445 ' HB ' HD23 ' B' ' 40' ' ' LEU . 12.3 p -71.65 -39.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.54 77.41 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 122.254 -0.279 . . . . 0.0 111.387 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptt? -79.6 -28.12 41.03 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.628 -179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.526 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 27.5 m -74.49 -43.78 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.703 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.391 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -80.55 -50.14 10.4 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.677 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.5 m -78.82 -73.87 0.31 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 41.69 69.05 0.39 Allowed 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.182 0.993 . . . . 0.0 111.826 -175.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.5 t 71.45 -34.27 0.29 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.336 1.454 . . . . 0.0 113.2 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -85.57 151.89 23.57 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 121.652 -0.655 . . . . 0.0 111.515 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.197 -1.659 0 C-N-CA 124.795 1.238 . . . . 0.0 110.625 -166.738 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.241 0.658 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.44 -49.11 65.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.768 0.827 . . . . 0.0 110.161 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.459 HD12 HG21 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.38 -40.76 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -176.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 8' ' ' VAL . 30.9 tt0 -54.57 -56.26 20.75 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.834 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.13 -44.12 74.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.845 0.858 . . . . 0.0 110.832 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.76 96.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.024 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.97 -47.2 84.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.204 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 4' ' ' GLU . 87.1 t -60.24 -44.59 95.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.458 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.26 86.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.11 -42.52 93.87 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.493 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 40.4 pt -74.28 -31.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.54 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.07 -28.78 27.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.486 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.51 -35.02 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 121.14 0.495 . . . . 0.0 110.491 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 27' ' ' LEU . 85.8 t80 -65.34 -45.98 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.826 0.822 . . . . 0.0 108.858 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.45 -49.52 77.24 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.556 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -58.22 -27.87 64.33 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.729 0.812 . . . . 0.0 112.911 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.42 -49.28 69.79 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 t -149.04 92.04 1.92 Allowed 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.133 0.492 . . . . 0.0 111.017 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.99 59.56 4.93 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-O 121.63 0.572 . . . . 0.0 112.762 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -45.35 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -77.56 -49.5 14.54 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -59.26 -59.82 9.98 Favored Glycine 0 CA--C 1.483 -1.951 0 O-C-N 124.617 1.198 . . . . 0.0 111.38 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.62 -59.11 1.73 Allowed 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.741 0.907 . . . . 0.0 112.967 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.38 -52.97 7.05 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -130.18 17.59 5.52 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.6 mmpt? 67.25 -167.65 0.2 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.578 0.751 . . . . 0.0 110.972 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 52.9 mt -146.98 153.1 39.67 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -80.94 154.26 27.08 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.653 0.596 . . . . 0.0 110.205 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.15 -18.25 64.26 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.834 174.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.698 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.8 m -53.65 -38.54 64.21 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.35 -19.96 48.97 Favored 'General case' 0 C--O 1.259 1.604 0 CA-C-O 122.14 0.971 . . . . 0.0 110.943 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 20.6 tp -61.71 -19.25 62.18 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.85 174.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.698 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -51.19 -34.36 31.42 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.823 0.849 . . . . 0.0 112.741 176.02 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 17.8 mt-10 -82.52 -38.7 23.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.473 0.654 . . . . 0.0 110.047 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 32' ' ' LEU . 21.6 tp -68.52 -34.59 76.15 Favored 'General case' 0 CA--C 1.558 1.287 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.836 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.592 HG22 HD22 ' A' ' 40' ' ' LEU . 11.2 pt -67.66 -43.64 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 O-C-N 121.951 -0.468 . . . . 0.0 111.499 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.88 -30.93 62.31 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.227 0.611 . . . . 0.0 111.338 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -92.35 -60.73 1.76 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 68.1 mm-40 -87.78 -62.11 1.57 Allowed 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.592 HD22 HG22 ' A' ' 36' ' ' ILE . 4.9 mp -70.37 -20.52 62.96 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.7 m -129.43 96.43 4.28 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.769 -0.582 . . . . 0.0 110.2 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.477 ' O ' HD22 ' A' ' 44' ' ' LEU . 56.9 p-80 -140.7 102.33 4.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.809 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 70.68 7.2 6.13 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 124.265 1.026 . . . . 0.0 112.751 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 42' ' ' HIS . 2.9 mm? -84.63 72.84 10.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.13 -20.14 4.2 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.776 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' HG13 ' A' ' 47' ' ' ILE . 11.2 pt-20 -92.03 1.25 57.31 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.892 -169.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.45 HG13 ' HG3' ' A' ' 46' ' ' GLU . 40.1 mt -112.82 -87.14 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.837 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -150.67 8.83 0.59 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.235 0.54 . . . . 0.0 110.829 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 mp0 -76.59 -23.25 53.48 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.8 -30.44 63.69 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.353 0.524 . . . . 0.0 111.109 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.8 mm-40 -73.05 -49.52 28.22 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.05 -28.11 35.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.257 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 57' ' ' MET . 70.6 t -64.09 -36.01 75.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 25.8 t70 -70.95 -41.39 71.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.166 0.507 . . . . 0.0 110.153 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 26.4 mmmt -66.05 -34.97 79.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.002 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.694 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.5 p -68.53 -33.65 61.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -67.7 -39.12 84.4 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 45.4 mt-10 -66.58 -51.24 58.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.062 0.458 . . . . 0.0 110.395 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.4 p -65.31 -41.75 93.72 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 7.7 tp -51.95 -49.39 63.27 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.933 0.893 . . . . 0.0 110.281 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.57 -51.87 51.73 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.338 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -70.86 -39.33 72.96 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.42 -10.1 45.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.95 0.881 . . . . 0.0 110.543 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.17 62.12 0.02 OUTLIER Glycine 0 N--CA 1.473 1.113 0 CA-C-N 114.414 -1.266 . . . . 0.0 115.282 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.51 -41.32 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 123.901 0.88 . . . . 0.0 109.464 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.29 41.43 3.06 Favored Glycine 0 CA--C 1.495 -1.167 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.473 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 59.13 -162.44 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.243 1.417 . . . . 0.0 110.325 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -138.88 117.72 12.36 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.13 164.67 12.77 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 11' ' ' ILE . 27.6 m-85 -63.63 -31.17 72.25 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.629 0.772 . . . . 0.0 109.57 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.0 -33.55 76.33 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.098 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.14 -29.45 48.78 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.517 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 7.2 m-85 -52.08 -54.52 29.33 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 123.479 0.487 . . . . 0.0 110.041 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -59.53 -41.89 91.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.983 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.59 -52.64 63.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.428 0.632 . . . . 0.0 111.424 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -64.23 -43.56 94.56 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.462 HG21 HD12 ' B' ' 3' ' ' LEU . 14.9 p -71.53 -38.87 69.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.59 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -68.66 -30.59 69.31 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.029 -0.669 . . . . 0.0 111.405 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -78.11 -29.61 49.02 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.614 -1.634 . . . . 0.0 111.624 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.34 -52.57 12.48 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.917 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 m -84.8 -39.08 18.8 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.59 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 19.2 m -86.71 -53.83 4.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -23.59 12.99 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.2 p -72.55 -65.79 0.74 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HB2' HG21 ' A' ' 47' ' ' ILE . 56.1 t60 -126.83 -1.77 6.62 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.753 -0.592 . . . . 0.0 112.428 -176.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' THR . 61.4 mm-40 . . . . . 0 C--N 1.306 -1.302 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 106.727 -1.582 . . . . 0.0 106.727 173.678 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.08 -49.98 63.24 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.635 0.774 . . . . 0.0 109.694 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.83 -40.91 95.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.483 -176.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 8' ' ' VAL . 34.0 tt0 -54.47 -57.7 10.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.781 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' B' ' 5' ' ' LYS . 36.4 ttpt -53.22 -44.08 67.75 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.202 1.001 . . . . 0.0 110.99 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.48 92.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -62.51 -47.17 85.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.027 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 4' ' ' GLU . 96.8 t -59.34 -45.7 93.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.97 83.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.1 -42.77 93.7 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.445 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 41.6 pt -74.24 -33.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.666 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 17.5 t70 -83.97 -26.85 28.89 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.413 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.34 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-O 121.235 0.54 . . . . 0.0 110.215 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' B' ' 27' ' ' LEU . 87.2 t80 -63.24 -46.51 86.58 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 122.101 0.953 . . . . 0.0 108.639 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 71.8 t60 -59.53 -49.1 79.1 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.898 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -59.55 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.693 0.797 . . . . 0.0 112.699 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.79 -51.39 68.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.1 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.4 t -146.14 96.95 2.87 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.269 0.557 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.04 60.18 4.14 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.282 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.92 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.5 -48.49 32.92 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.429 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -59.91 -58.86 11.98 Favored Glycine 0 CA--C 1.488 -1.645 0 O-C-N 124.659 1.224 . . . . 0.0 111.182 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -44.98 -54.85 6.08 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.592 0.71 . . . . 0.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -81.25 -63.03 1.49 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -126.17 26.54 6.46 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -169.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 9.4 mmpt? 62.7 -166.15 0.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.865 0.728 . . . . 0.0 111.991 175.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 61.2 mt -147.99 152.47 37.52 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 123.918 0.887 . . . . 0.0 108.642 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 13.5 mptt -81.61 154.7 26.02 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.69 0.619 . . . . 0.0 109.73 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.555 ' HZ1' ' CD ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -63.42 -18.05 63.31 Favored 'General case' 0 C--O 1.206 -1.229 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.573 173.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.722 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 2.4 m -52.44 -39.32 60.9 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 123.03 0.532 . . . . 0.0 109.854 172.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.47 -19.56 45.72 Favored 'General case' 0 C--O 1.258 1.548 0 CA-C-O 122.053 0.93 . . . . 0.0 110.768 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 22.5 tp -61.95 -19.2 62.5 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.716 174.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.722 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -51.52 -34.76 37.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.921 0.889 . . . . 0.0 112.368 176.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.547 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 11.9 mt-10 -84.02 -35.72 23.66 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.384 0.611 . . . . 0.0 110.724 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.64 -33.44 70.98 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.656 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.582 HG22 HD22 ' B' ' 40' ' ' LEU . 10.9 pt -69.11 -41.92 81.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 121.86 -0.525 . . . . 0.0 110.874 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.23 -32.01 64.07 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 123.939 0.775 . . . . 0.0 111.37 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -91.86 -59.47 2.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -87.25 -63.0 1.37 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -171.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.582 HD22 HG22 ' B' ' 36' ' ' ILE . 5.0 mp -70.06 -19.36 63.29 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -170.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -130.38 99.19 4.92 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.334 0.587 . . . . 0.0 110.083 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.511 ' O ' HD22 ' B' ' 44' ' ' LEU . 52.4 p-80 -142.53 102.32 4.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.791 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 71.58 3.91 4.85 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 124.011 0.925 . . . . 0.0 112.842 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.511 HD22 ' O ' ' B' ' 42' ' ' HIS . 2.6 mm? -82.66 76.31 9.52 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -130.38 -16.35 3.5 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.865 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -95.57 -4.74 44.08 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.479 HD12 ' OE2' ' B' ' 49' ' ' GLU . 34.6 mt -106.99 -86.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.231 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.69 -175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -150.52 7.09 0.57 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.168 0.509 . . . . 0.0 110.779 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.479 ' OE2' HD12 ' B' ' 47' ' ' ILE . 20.4 mp0 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -56.51 -31.64 64.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.126 0.489 . . . . 0.0 111.359 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 17.1 mm-40 -71.62 -50.9 26.45 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -68.14 -28.1 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.307 -174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.2 t -64.61 -35.05 73.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.244 0.545 . . . . 0.0 109.773 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 51' ' ' GLU . 25.5 mmmt -64.12 -35.9 82.27 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.954 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.718 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.7 p -68.59 -32.0 53.38 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.4 mmt -69.99 -41.97 73.7 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.48 -49.98 74.6 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.107 0.479 . . . . 0.0 110.553 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.1 p -68.61 -42.45 78.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.569 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.718 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 8.3 tp -51.33 -50.16 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.891 0.877 . . . . 0.0 110.36 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.95 -46.04 72.54 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.37 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.39 -43.81 59.81 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.93 -6.72 57.08 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 122.358 1.075 . . . . 0.0 110.566 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.26 59.57 0.04 OUTLIER Glycine 0 C--N 1.3 -1.417 0 CA-C-N 114.371 -1.286 . . . . 0.0 115.071 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.88 -41.18 0.4 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 123.583 0.753 . . . . 0.0 109.715 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.38 45.42 3.13 Favored Glycine 0 CA--C 1.488 -1.634 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.848 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 43.5 mm-40 57.41 -160.13 0.24 Allowed 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 125.699 1.6 . . . . 0.0 110.695 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.501 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 46.3 t -140.87 115.84 9.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 172.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -92.61 165.74 12.84 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 29.1 m-85 -67.91 -28.89 67.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.63 -32.44 73.92 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.749 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.555 ' CD ' ' HZ1' ' B' ' 29' ' ' LYS . 44.7 mt-10 -78.99 -31.98 45.05 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.505 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 6.8 m-85 -50.7 -54.65 21.45 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.58 0.55 . . . . 0.0 109.958 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.44 -41.6 89.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.099 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.54 67.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.392 0.615 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.23 -45.44 88.18 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.537 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.459 HG21 HD12 ' A' ' 3' ' ' LEU . 15.0 p -69.85 -38.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.63 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.95 -29.25 67.45 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.47 -176.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.42 -29.81 42.06 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.336 -1.746 . . . . 0.0 111.737 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.3 m -84.21 -52.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.977 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -84.5 -39.37 18.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.354 0.597 . . . . 0.0 112.364 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 17.0 m -88.12 -52.11 5.42 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.77 -6.16 3.43 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.23 -58.85 2.59 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.348 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.421 ' HB2' HG21 ' B' ' 47' ' ' ILE . 70.7 t60 -131.99 -9.25 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 82' ' ' THR . 14.4 mm-40 . . . . . 0 C--N 1.306 -1.297 0 O-C-N 121.328 -0.857 . . . . 0.0 110.442 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.316 0.579 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HG3' ' HB1' ' B' ' 9' ' ' ALA . 8.5 tp10 -61.38 -40.56 94.76 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.532 0.682 . . . . 0.0 110.418 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.2 -22.56 61.25 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.0 -44.42 89.32 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.87 -38.0 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.404 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.29 -47.01 71.9 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.953 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -63.58 -40.83 97.97 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 109.774 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.34 -35.0 63.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.875 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -45.01 91.86 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.182 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.9 mp -61.83 -51.79 66.8 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 121.415 0.626 . . . . 0.0 110.307 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 pt -72.45 -37.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.8 t70 -69.03 -41.04 78.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.328 -0.233 . . . . 0.0 111.172 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.83 -35.92 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' HZ ' ' HG ' ' A' ' 68' ' ' CYS . 2.8 m-30 -63.31 -38.14 90.0 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -68.83 -42.02 77.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.8 mm-40 -53.46 -41.78 66.5 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.899 0.479 . . . . 0.0 111.824 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.33 62.68 2.39 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.6 m 60.38 14.47 4.74 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.333 1.053 . . . . 0.0 113.032 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.617 ' HA2' ' HB3' ' A' ' 23' ' ' ASP . . . -83.34 62.47 4.62 Favored Glycine 0 CA--C 1.495 -1.209 0 CA-C-O 121.584 0.547 . . . . 0.0 113.85 -174.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 -34.06 0.88 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.755 -0.722 . . . . 0.0 109.937 173.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.15 -42.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.871 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.31 -45.15 75.5 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 175.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.617 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 21.6 t70 -93.82 152.25 19.04 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.47 15.79 0.56 Allowed 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 125.481 1.512 . . . . 0.0 111.375 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HE3' ' A' ' 26' ' ' LYS . 22.1 m80 59.84 29.11 18.69 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.963 0.887 . . . . 0.0 109.133 -170.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 7.7 mmpt? -149.85 106.45 3.52 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 101.945 -3.354 . . . . 0.0 101.945 -177.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 tm? -75.79 -35.4 60.1 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -159.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 74.77 136.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.762 0.791 . . . . 0.0 110.831 -175.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 8.2 mtmp? -63.75 -22.73 67.06 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.481 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.673 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.9 m -55.99 -47.46 77.68 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.294 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.79 -18.17 38.62 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 121.585 0.707 . . . . 0.0 111.252 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.9 tm? -61.03 -20.29 62.37 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.26 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.673 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.29 -38.39 65.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.796 0.838 . . . . 0.0 112.333 174.283 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.629 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 25.2 mt-10 -74.03 -35.24 64.32 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.36 -53.66 53.81 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.757 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 40' ' ' LEU . 8.5 pt -64.14 -38.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.9 -44.73 39.03 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.208 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -101.3 -64.07 1.08 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -78.98 -5.88 54.93 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 77' ' ' VAL . 4.8 tt -90.33 -44.5 9.64 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.2 m -137.6 136.18 37.31 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -76.49 -67.73 0.66 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 166.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -127.43 21.49 6.61 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.74 87.65 6.32 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 50' ' ' GLN . 36.5 mt-10 -144.04 17.11 1.75 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 18.09 2.46 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.02 -60.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -150.33 -31.19 0.2 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.837 0.855 . . . . 0.0 111.495 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.73 -25.72 68.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 C-N-CA 124.797 1.239 . . . . 0.0 110.753 -178.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 28.2 pt20 -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.433 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.46 -48.38 11.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.674 0.749 . . . . 0.0 109.61 173.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.425 HG12 HG23 ' A' ' 56' ' ' VAL . 39.1 t -66.48 -37.86 80.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -171.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 57' ' ' MET . 58.9 t -55.32 -40.98 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.99 -42.46 94.51 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.172 0.511 . . . . 0.0 110.521 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -69.42 -32.64 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.6 0.714 . . . . 0.0 110.031 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.572 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 t -62.5 -39.05 82.99 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 C-N-CA 124.539 1.136 . . . . 0.0 110.557 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.3 mmt -66.41 -24.53 66.48 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.34 -60.84 2.21 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.519 0.676 . . . . 0.0 109.382 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 56' ' ' VAL . 6.6 p -56.52 -33.34 65.95 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.772 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.3 tp -49.41 -33.43 13.89 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.817 1.247 . . . . 0.0 110.921 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -114.34 -40.98 3.54 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.088 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.24 -28.18 69.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.57 -69.0 0.35 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.889 0.376 . . . . 0.0 110.637 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.46 ' H ' ' HE2' ' A' ' 29' ' ' LYS . . . 59.18 37.13 91.32 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.089 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.41 -37.53 81.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 117.251 0.526 . . . . 0.0 111.038 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.49 87.42 0.06 OUTLIER Glycine 0 N--CA 1.411 -2.988 0 C-N-CA 118.944 -1.598 . . . . 0.0 114.309 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 65.76 -149.17 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.606 ' HG ' ' HZ ' ' A' ' 14' ' ' PHE . 49.8 t -151.9 123.96 8.12 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.737 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 4.1 m-20 -126.87 -161.95 1.11 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -64.19 -22.64 67.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -72.77 -50.85 21.76 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.199 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 22.9 mp0 -63.88 -39.16 93.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -53.26 -62.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.125 178.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -40.34 89.79 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.876 0.735 . . . . 0.0 111.116 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -57.26 -55.16 38.38 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 123.466 0.479 . . . . 0.0 111.879 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -64.38 -48.98 73.42 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.3 p -66.14 -34.5 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.68 -51.07 12.2 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 119.384 -0.927 . . . . 0.0 111.315 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.4 ptt? -65.88 -23.96 66.76 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.34 -51.85 30.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.86 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -78.97 -27.17 43.44 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.4 p -98.5 -86.15 0.36 Allowed 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.096 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.05 6.84 1.03 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.604 1.561 . . . . 0.0 113.113 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.8 t -161.11 151.59 17.93 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -76.07 32.36 0.12 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.647 0.779 . . . . 0.0 111.694 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 . . . . . 0 C--N 1.297 -1.7 0 C-N-CA 123.633 0.773 . . . . 0.0 110.418 -174.697 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 121.359 0.599 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.412 -2.373 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -172.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.439 -1.002 0 CA-C-O 121.658 0.742 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -64.78 -33.82 76.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.003 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.28 -25.02 54.48 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.36 -49.84 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.97 -39.13 93.45 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.246 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.499 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -67.8 -44.61 76.94 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.915 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -64.97 -41.06 95.77 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.86 -35.53 61.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.473 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' HG3' ' A' ' 2' ' ' GLU . . . -59.9 -45.19 93.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.339 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.9 mp -62.21 -49.28 76.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.499 0.666 . . . . 0.0 110.323 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.37 -35.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -173.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 25.1 t70 -71.14 -41.48 70.42 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 122.184 -0.323 . . . . 0.0 110.973 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.95 -37.68 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.725 ' HZ ' ' HG ' ' B' ' 68' ' ' CYS . 2.3 m-30 -62.79 -37.65 87.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.188 0.518 . . . . 0.0 111.127 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' B' ' 20' ' ' ARG . 27.2 t60 -68.33 -42.38 79.43 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.79 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 77.1 mm-40 -55.47 -37.88 68.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -77.98 53.62 1.2 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m 67.39 13.71 9.43 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.617 1.167 . . . . 0.0 112.384 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.628 ' HA2' ' HB3' ' B' ' 23' ' ' ASP . . . -81.61 59.86 4.79 Favored Glycine 0 CA--C 1.499 -0.952 0 CA-C-O 121.608 0.56 . . . . 0.0 114.01 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.479 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -135.61 -31.22 0.96 Allowed 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.728 -0.736 . . . . 0.0 110.226 174.203 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -45.09 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 111.18 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.99 70.2 Favored Glycine 0 CA--C 1.491 -1.435 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.491 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.628 ' HB3' ' HA2' ' B' ' 19' ' ' GLY . 19.3 t70 -95.2 154.83 17.0 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -77.37 15.7 0.72 Allowed 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 124.78 1.232 . . . . 0.0 111.423 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.43 ' O ' ' HE3' ' B' ' 26' ' ' LYS . 25.2 m80 59.88 28.11 17.55 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.756 0.789 . . . . 0.0 109.486 -169.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 7.8 mmpt? -150.47 108.7 3.76 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 -178.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' B' ' 14' ' ' PHE . 2.3 tm? -78.29 -34.77 48.66 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -158.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.2 OUTLIER 75.19 136.73 0.06 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.687 -175.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.484 ' NZ ' ' HB2' ' B' ' 29' ' ' LYS . 8.3 mtmp? -64.78 -21.64 66.82 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.549 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.696 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 3.8 m -55.67 -49.08 73.9 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.742 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -81.82 -18.24 44.67 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 111.441 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.451 HD13 ' O ' ' B' ' 32' ' ' LEU . 2.8 tm? -60.9 -20.32 61.84 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.696 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.3 -37.28 64.62 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.985 0.914 . . . . 0.0 112.343 174.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.677 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 26.1 mt-10 -76.5 -34.86 58.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 177.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.09 -52.14 66.16 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.41 HG22 HD12 ' B' ' 40' ' ' LEU . 7.4 pt -64.36 -38.47 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.98 -41.31 36.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -100.5 -67.02 0.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -79.37 -5.71 55.18 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' B' ' 77' ' ' VAL . 4.8 tt -89.19 -42.49 11.62 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.1 m -142.72 137.45 29.84 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -80.75 -61.36 1.99 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -129.73 18.2 5.71 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.0 87.81 5.98 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -143.88 13.73 1.69 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -140.71 22.43 2.31 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -169.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.76 -63.93 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -147.62 -29.84 0.33 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.402 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -64.98 -23.94 67.37 Favored 'General case' 0 N--CA 1.421 -1.892 0 C-N-CA 124.776 1.23 . . . . 0.0 110.881 -178.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -56.38 -32.01 64.38 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.887 0.375 . . . . 0.0 111.687 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.46 -50.56 8.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.934 0.873 . . . . 0.0 109.689 172.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.445 HG12 HG23 ' B' ' 56' ' ' VAL . 24.2 t -64.78 -39.63 86.31 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 57' ' ' MET . 70.0 t -54.82 -40.06 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.798 0.439 . . . . 0.0 112.147 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.58 -43.06 90.93 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.071 0.462 . . . . 0.0 110.722 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.484 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 26.2 mtpp -70.53 -31.11 68.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.838 0.828 . . . . 0.0 109.662 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.609 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.87 -39.48 85.18 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.692 0 C-N-CA 124.424 1.09 . . . . 0.0 110.705 173.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.58 -25.11 67.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 39.0 mt-10 -79.69 -61.22 2.06 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' VAL . 7.0 p -56.08 -33.66 65.26 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.061 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.609 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.6 tp -48.9 -34.89 13.62 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.052 1.341 . . . . 0.0 110.849 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -111.62 -42.37 3.86 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.248 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -61.31 -30.99 70.84 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.49 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.138 0.495 . . . . 0.0 110.508 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.471 ' H ' ' HE2' ' B' ' 29' ' ' LYS . . . 61.66 30.97 76.25 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.21 -35.08 69.21 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.221 0.51 . . . . 0.0 112.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.64 87.47 0.06 OUTLIER Glycine 0 N--CA 1.414 -2.796 0 C-N-CA 118.974 -1.584 . . . . 0.0 114.226 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.12 -141.82 0.58 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.725 ' HG ' ' HZ ' ' B' ' 14' ' ' PHE . 41.1 t -153.3 123.64 7.09 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.64 176.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 4.2 m-20 -125.82 -163.75 1.24 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.95 1.406 . . . . 0.0 107.267 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.24 -23.55 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.82 -53.22 19.2 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.158 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.5 mp0 -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.59 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -52.78 -61.89 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.085 179.25 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.78 89.56 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -57.33 -56.6 19.75 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.545 0.528 . . . . 0.0 111.649 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -63.65 -47.99 79.05 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.59 HG12 ' O ' ' B' ' 73' ' ' PHE . 8.2 p -66.89 -34.35 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.97 -51.26 11.45 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.506 -0.877 . . . . 0.0 111.172 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.5 ptt? -65.67 -24.41 67.0 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.8 m -71.55 -50.59 38.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.936 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 69.9 m -79.87 -28.01 40.01 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -97.2 -85.27 0.36 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.9 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 57.56 14.44 2.32 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.505 1.522 . . . . 0.0 113.068 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -168.31 153.68 6.69 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -76.06 30.6 0.11 Allowed 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 123.888 0.875 . . . . 0.0 111.811 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--N 1.293 -1.855 0 C-N-CA 123.199 0.599 . . . . 0.0 110.643 -173.65 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 73.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -80.71 -33.77 35.04 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.04 -39.34 90.07 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.5 ' HG2' ' ND1' ' B' ' 42' ' ' HIS . 1.4 tm-20 -56.44 -55.68 30.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.295 1.438 . . . . 0.0 108.494 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.09 -41.67 79.33 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.327 0.651 . . . . 0.0 111.955 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -59.09 -48.52 81.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.796 0.685 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.584 ' SD ' HG22 ' B' ' 77' ' ' VAL . 33.2 ttp -59.5 -46.6 88.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.773 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 4' ' ' GLU . 59.5 t -58.77 -45.58 91.19 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.904 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.882 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -61.21 -36.26 79.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.863 0.363 . . . . 0.0 111.476 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 13' ' ' VAL . 94.1 mt -72.52 -43.16 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.046 0.451 . . . . 0.0 111.599 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.61 -32.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.178 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 30.3 t70 -72.53 -23.82 61.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.334 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 10' ' ' LEU . 6.2 p -69.78 -33.46 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.677 176.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -68.61 -40.04 80.56 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 13.7 t60 -55.26 -55.37 32.12 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.727 0.811 . . . . 0.0 110.458 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.1 mt-30 -57.24 -56.95 15.15 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.947 0.899 . . . . 0.0 112.303 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -93.54 16.23 14.16 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -49.86 108.8 0.23 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -88.42 88.36 1.54 Allowed Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 176.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -52.82 -34.8 55.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -171.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' NE ' ' A' ' 20' ' ' ARG . 57.1 mm-40 -110.33 -67.98 0.96 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.25 -31.09 68.69 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 114.704 0.642 . . . . 0.0 114.704 -174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 4.3 m-20 -98.21 9.98 41.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 117.002 0.401 . . . . 0.0 111.892 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 65.79 25.12 11.37 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 121.953 0.882 . . . . 0.0 109.782 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 14.5 t-80 81.85 -9.4 1.23 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.348 1.859 . . . . 0.0 112.021 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -101.82 -139.13 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.55 127.77 30.06 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 172.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 10.7 ptmt -77.25 155.93 31.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-O 121.656 0.741 . . . . 0.0 111.296 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 26.3 ttpt -63.23 -30.33 71.5 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.594 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -67.27 -31.02 71.06 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.91 0.386 . . . . 0.0 110.023 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 28' ' ' LYS . 12.4 mm-40 -81.48 -18.92 43.48 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.081 -0.387 . . . . 0.0 110.115 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.78 -29.47 69.45 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB2' HD23 ' A' ' 60' ' ' LEU . 2.8 tmmm? -55.92 -55.46 32.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.771 0.796 . . . . 0.0 110.16 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.55 -34.33 77.66 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.3 -52.64 64.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.625 HG22 HD12 ' A' ' 40' ' ' LEU . 20.6 pt -65.94 -39.96 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.28 -36.36 63.57 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -110.01 -55.14 2.49 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.2 -18.17 59.19 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.43 0.692 . . . . 0.0 112.183 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.625 HD12 HG22 ' A' ' 36' ' ' ILE . 3.5 tt -100.83 -55.07 2.66 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -40.32 124.86 2.0 Allowed 'General case' 0 C--O 1.241 0.627 0 C-N-CA 125.533 1.533 . . . . 0.0 114.294 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.464 ' ND1' ' HG2' ' B' ' 4' ' ' GLU . 50.0 p-80 -171.9 118.39 0.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.462 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 43.85 73.71 0.14 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.943 1.297 . . . . 0.0 113.175 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.46 -176.09 2.89 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.469 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 72.36 19.1 4.42 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.857 1.663 . . . . 0.0 111.834 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -129.38 -15.42 4.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 81' ' ' THR . 56.4 mt -96.35 -84.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.535 -171.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.6 69.8 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -28.21 1.84 Allowed 'General case' 0 C--N 1.27 -2.873 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.152 -170.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -53.91 -36.33 62.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.7 -46.97 28.19 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.41 0.624 . . . . 0.0 109.453 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.75 -47.59 90.31 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.232 -173.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 57' ' ' MET . 87.4 t -56.28 -45.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 123.557 0.536 . . . . 0.0 111.245 -176.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.65 -44.53 90.12 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -64.34 -37.47 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.465 . . . . 0.0 110.139 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.49 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.5 t -57.49 -53.28 46.28 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 124.516 1.126 . . . . 0.0 110.108 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.5 mmt -59.73 -37.37 78.73 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 123.317 0.386 . . . . 0.0 111.458 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.28 -61.52 2.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.966 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -61.98 -43.49 98.74 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.313 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.0 tp -52.37 -46.48 66.2 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 124.025 0.93 . . . . 0.0 111.483 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -88.32 -33.62 17.94 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.06 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -71.53 -31.0 66.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.55 -48.88 77.54 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.12 43.03 97.79 Favored Glycine 0 C--O 1.249 1.073 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -87.44 155.04 20.19 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 117.111 0.455 . . . . 0.0 110.821 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.73 -14.41 78.07 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.759 -0.655 . . . . 0.0 114.247 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 12.4 pt-20 -143.28 177.39 8.45 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.41 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 11.7 t -142.33 134.06 26.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 173.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -98.88 166.01 11.5 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.692 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -57.96 -32.18 67.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.186 0.517 . . . . 0.0 110.631 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -66.1 -38.56 88.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.764 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 45.4 mt-10 -69.25 -40.09 78.06 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.279 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.6 ' O ' HG12 ' A' ' 77' ' ' VAL . 5.2 m-85 -53.2 -53.19 54.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.5 0.5 . . . . 0.0 110.605 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.46 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -54.71 -48.9 71.92 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.004 0.815 . . . . 0.0 111.593 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -59.69 -53.48 57.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.685 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 79.8 m-85 -62.96 -46.46 87.61 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -66.49 -46.71 85.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -73.86 -28.64 61.68 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.239 -0.985 . . . . 0.0 111.741 -175.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.1 ptt? -77.77 -23.59 49.18 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.011 -1.476 . . . . 0.0 111.853 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.3 -52.76 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.044 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 47' ' ' ILE . 22.9 m -86.04 -41.76 14.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 50.6 m -86.8 -39.76 15.6 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.682 -0.636 . . . . 0.0 112.43 -172.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.96 71.9 2.09 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.2 t -84.68 -47.6 10.31 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 103.751 -2.685 . . . . 0.0 103.751 168.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -150.25 167.3 27.35 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--N 1.3 -1.582 0 CA-C-N 119.05 0.841 . . . . 0.0 112.87 -175.35 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 . . . . . 0 N--CA 1.438 -1.043 0 CA-C-O 119.904 -0.093 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.498 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 47.4 mt-10 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 -164.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 16.9 m . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 120.942 0.401 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.91 -38.78 44.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.32 -37.92 89.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.464 ' HG2' ' ND1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -58.01 -53.98 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 108.891 177.398 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -59.39 -41.11 88.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.287 0.635 . . . . 0.0 111.389 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 10' ' ' LEU . . . -58.9 -48.21 82.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.593 ' SD ' HG22 ' A' ' 77' ' ' VAL . 34.0 ttp -59.62 -46.62 88.45 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.866 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.59 -48.62 86.7 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.921 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.234 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -58.5 -34.07 70.53 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.773 0.321 . . . . 0.0 111.555 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.615 ' O ' HG12 ' B' ' 13' ' ' VAL . 92.9 mt -74.24 -45.13 49.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.948 0.404 . . . . 0.0 111.745 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 pt -74.84 -31.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.488 0.661 . . . . 0.0 110.967 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 33.8 t70 -73.01 -23.76 60.66 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.362 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.615 HG12 ' O ' ' B' ' 10' ' ' LEU . 9.7 p -70.94 -32.74 49.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.649 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.75 -35.52 77.21 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 15.3 t60 -59.68 -54.66 43.79 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.699 0.8 . . . . 0.0 110.998 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 79.3 mt-30 -60.93 -48.67 80.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.526 -178.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.36 27.47 6.21 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.831 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.4 p -60.98 105.15 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.27 89.66 1.39 Allowed Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -35.91 63.08 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 115.302 1.594 . . . . 0.0 115.302 -169.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -114.94 -52.08 2.71 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.11 -27.64 69.84 Favored Glycine 0 N--CA 1.461 0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.915 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.438 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 7.5 m-20 -101.13 9.47 41.97 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 122.841 -0.211 . . . . 0.0 110.674 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.7 tttt 64.03 26.44 14.05 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.111 0.958 . . . . 0.0 109.647 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 80.21 -6.86 1.69 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.85 2.06 . . . . 0.0 111.905 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -103.6 -138.65 0.35 Allowed 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -136.16 126.4 26.44 Favored 'General case' 0 CA--C 1.478 -1.823 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 172.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 10.9 ptmt -75.19 158.88 32.29 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.553 0.692 . . . . 0.0 111.56 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -63.78 -33.77 76.41 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.397 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.07 -30.3 71.24 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 121.542 0.687 . . . . 0.0 109.936 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.51 -18.6 41.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.543 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.496 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -63.05 -28.08 69.84 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -56.3 -56.49 20.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.671 0.748 . . . . 0.0 110.364 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.83 -34.57 78.68 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.94 -49.34 77.84 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.369 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.612 HG22 HD12 ' B' ' 40' ' ' LEU . 21.2 pt -70.34 -37.82 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.07 -40.54 77.08 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -105.88 -52.13 2.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.97 -18.25 50.85 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.972 0.509 . . . . 0.0 112.356 -169.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.612 HD12 HG22 ' B' ' 36' ' ' ILE . 3.6 tt -99.77 -55.33 2.68 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.3 t -41.71 128.52 3.31 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 125.084 1.354 . . . . 0.0 114.578 -170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.5 ' ND1' ' HG2' ' A' ' 4' ' ' GLU . 54.3 p-80 -173.17 120.81 0.36 Allowed 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.955 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 40.94 73.38 0.13 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.962 1.305 . . . . 0.0 113.526 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 98.7 mt -109.59 -174.01 2.4 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.432 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 74.28 11.0 4.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.736 1.614 . . . . 0.0 111.574 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -121.54 -17.82 7.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.836 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.435 HG21 ' O ' ' B' ' 81' ' ' THR . 54.9 mt -93.74 -85.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.353 -172.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.43 68.68 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -21.78 2.74 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.329 -172.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -56.18 -33.11 64.96 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.43 -51.24 10.33 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.2 -47.75 90.89 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.162 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.602 -172.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' B' ' 57' ' ' MET . 94.8 t -56.67 -43.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 O-C-N 123.406 0.441 . . . . 0.0 111.766 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.54 -39.53 77.41 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -66.32 -37.85 86.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 3.6 t -57.16 -54.74 26.4 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 C-N-CA 124.502 1.121 . . . . 0.0 110.111 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.5 mmt -59.0 -36.36 74.79 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 123.252 0.345 . . . . 0.0 111.467 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.65 -61.85 1.85 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -64.0 -42.48 97.17 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.481 HD11 HD12 ' B' ' 32' ' ' LEU . 13.6 tp -51.67 -51.02 59.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.797 0.839 . . . . 0.0 110.98 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.05 -37.91 28.27 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.093 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.04 -35.26 76.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.55 -45.84 90.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.0 56.72 21.71 Favored Glycine 0 CA--C 1.502 -0.773 0 CA-C-N 114.542 -1.208 . . . . 0.0 114.465 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -98.01 152.08 19.65 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.3 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.69 -20.2 67.96 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 114.958 0.743 . . . . 0.0 114.958 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 10.1 pt-20 -139.89 173.36 11.61 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 117.912 0.856 . . . . 0.0 112.202 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.445 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.5 t -139.34 131.36 27.9 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 105.607 -1.998 . . . . 0.0 105.607 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -97.73 169.13 9.89 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.169 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -59.64 -31.6 69.66 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.121 0.486 . . . . 0.0 111.044 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -66.5 -36.33 82.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.628 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.509 ' O ' ' HD2' ' B' ' 76' ' ' PHE . 44.3 mt-10 -71.25 -40.76 70.8 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.73 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.614 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.3 m-85 -53.18 -54.49 35.13 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.395 0.435 . . . . 0.0 110.754 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.42 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.23 -48.5 71.01 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 124.008 0.817 . . . . 0.0 111.951 178.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -59.48 -53.52 57.17 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.618 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.509 ' HD2' ' O ' ' B' ' 72' ' ' GLU . 81.0 m-85 -62.78 -46.9 85.83 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.614 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.2 p -66.13 -47.19 85.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.419 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.686 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.6 ptt? -76.51 -23.48 53.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.293 -1.363 . . . . 0.0 111.961 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 m -82.41 -52.53 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.435 ' O ' HG21 ' B' ' 47' ' ' ILE . 22.3 m -85.87 -40.81 15.56 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 61.3 m -89.0 -38.64 14.28 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.52 -0.738 . . . . 0.0 112.477 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.45 75.59 1.93 Allowed 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 42.2 t -90.32 -44.92 9.37 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.0 -2.593 . . . . 0.0 104.0 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -155.01 166.65 32.91 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 102.797 -3.038 . . . . 0.0 102.797 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--N 1.297 -1.707 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 m . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.171 0.51 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.79 -28.42 24.52 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' B' ' 40' ' ' LEU . 2.7 tm? -69.12 -40.89 78.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.182 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.1 pt-20 -56.69 -44.11 81.17 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.4 -45.84 92.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.782 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.02 96.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.432 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' HG22 ' B' ' 77' ' ' VAL . 57.0 ttp -65.26 -43.35 91.59 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 120.939 0.399 . . . . 0.0 110.753 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 4' ' ' GLU . 78.0 t -60.85 -45.37 98.19 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.051 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -57.45 -52.18 66.43 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 122.814 0.446 . . . . 0.0 111.449 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -56.49 -47.9 78.29 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.258 0.551 . . . . 0.0 111.536 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.11 -41.9 67.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.315 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 17.6 t70 -76.85 -25.28 52.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 9' ' ' ALA . 71.3 t -66.05 -36.44 77.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.835 174.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -72.17 -23.71 61.32 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.216 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 50.3 t60 -65.77 -40.63 92.2 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 121.368 0.604 . . . . 0.0 109.845 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -68.24 -15.27 63.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.224 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.71 146.69 29.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.511 0.672 . . . . 0.0 109.703 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 m -87.7 6.88 32.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.169 0.509 . . . . 0.0 111.725 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 50.68 0.75 Allowed Glycine 0 C--O 1.198 -2.149 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.398 -178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 -41.65 2.4 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.512 172.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.24 -39.29 15.56 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.84 -29.31 74.48 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.224 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.21 -165.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 55.1 tttm -81.71 28.38 0.41 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.017 1.727 . . . . 0.0 109.785 -175.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.578 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 24.7 m-70 71.75 8.45 6.11 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.254 1.421 . . . . 0.0 109.927 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -125.97 169.0 13.15 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.99 -17.28 13.63 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' C ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 mptt 74.05 132.49 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.134 1.374 . . . . 0.0 108.265 -168.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 85.0 mttt -63.68 -24.2 67.69 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.146 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 27.3 t -56.4 -41.66 76.66 Favored 'General case' 0 C--O 1.199 -1.564 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.8 -17.35 59.08 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 121.377 -0.827 . . . . 0.0 113.057 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.87 -26.18 67.99 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HB2' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -61.09 -31.2 70.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.075 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -79.69 -33.15 41.34 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 0.0 109.981 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.48 -54.36 37.59 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.285 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' A' ' 40' ' ' LEU . 11.9 pt -63.2 -34.59 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.86 -30.38 70.09 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.696 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -102.91 -57.8 1.98 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 43.5 mm-40 -82.82 -11.19 58.44 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -171.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' A' ' 77' ' ' VAL . 1.4 tt -78.59 -39.44 37.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.887 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -31.65 97.58 0.01 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.373 1.869 . . . . 0.0 114.89 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.444 ' HD2' ' OE1' ' B' ' 4' ' ' GLU . 48.3 t-80 -140.89 82.54 1.85 Allowed 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.554 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 54.31 73.8 0.37 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.334 1.021 . . . . 0.0 110.441 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 HD22 ' H ' ' A' ' 44' ' ' LEU . 2.4 mm? -60.07 -31.85 70.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.962 -172.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 26.0 mp0 -69.26 -26.19 64.65 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.086 0.47 . . . . 0.0 111.427 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -88.06 -19.47 27.05 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 121.049 0.452 . . . . 0.0 112.148 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -104.44 179.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.134 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -77.35 -81.22 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 53' ' ' VAL . 62.8 mt-10 58.27 -67.84 0.03 OUTLIER 'General case' 0 C--O 1.193 -1.887 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -50.62 -39.19 49.65 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -163.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.93 -35.09 64.57 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.62 0.724 . . . . 0.0 109.676 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG12 HG23 ' A' ' 56' ' ' VAL . 21.3 t -86.91 -31.25 6.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.121 -171.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 57' ' ' MET . 86.4 t -54.21 -53.78 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.232 0.613 . . . . 0.0 111.443 -175.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.6 -41.29 97.22 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 123.503 0.502 . . . . 0.0 111.189 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -66.12 -42.42 89.2 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.453 HG23 HG12 ' A' ' 52' ' ' VAL . 3.5 t -58.21 -49.5 81.51 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.213 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.866 174.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -58.11 -39.78 79.54 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.56 -52.22 58.77 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.247 0.546 . . . . 0.0 110.64 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.2 p -70.41 -44.55 67.69 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 23.7 tp -56.63 -49.2 75.69 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 124.12 0.968 . . . . 0.0 110.751 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.64 -35.62 67.82 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.587 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -80.14 -41.34 25.58 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.28 -48.07 45.28 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -81.46 62.68 4.46 Favored Glycine 0 CA--C 1.498 -1.029 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.5 -176.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.71 -37.05 85.35 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 124.386 1.074 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.445 ' HA2' ' HE3' ' A' ' 28' ' ' LYS . . . -131.78 -32.52 0.46 Allowed Glycine 0 N--CA 1.431 -1.654 0 C-N-CA 120.031 -1.08 . . . . 0.0 114.219 -177.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 6.6 mm-40 -114.49 149.1 36.89 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.123 -171.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.559 ' HB2' ' C ' ' A' ' 28' ' ' LYS . 45.4 t -149.25 123.23 9.39 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.6 -176.73 3.03 Favored 'General case' 0 C--N 1.283 -2.315 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 2.1 p90 -75.73 -17.68 59.84 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.214 0.53 . . . . 0.0 111.905 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -77.15 -38.38 51.99 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.043 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 2.4 mp0 -71.84 -29.58 64.55 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -55.55 -54.23 46.65 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -47.45 85.66 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.474 0.654 . . . . 0.0 111.34 175.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.91 10.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.253 74.8 m-85 -66.25 -37.65 86.0 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -174.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.627 HG23 ' HG ' ' A' ' 40' ' ' LEU . 4.7 p -64.87 -47.63 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.346 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.11 76.75 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.598 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 27.1 ptm -79.36 -23.25 43.49 Favored 'General case' 0 C--O 1.196 -1.726 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.33 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.16 -37.75 13.22 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.963 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.543 ' OG1' HD21 ' A' ' 40' ' ' LEU . 94.5 m -74.55 -59.25 2.81 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.145 0.578 . . . . 0.0 112.221 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 m -86.45 -60.66 1.93 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -173.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 58.59 128.2 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.5 t 68.85 -46.32 0.55 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.851 1.661 . . . . 0.0 113.351 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.7 85.32 2.32 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 123.538 0.735 . . . . 0.0 109.562 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--N 1.303 -1.438 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.406 -178.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 117.48 -1.248 . . . . 0.0 111.597 -172.22 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.591 ' O ' ' HG2' ' B' ' 4' ' ' GLU . 26.9 m . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.119 0.485 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -85.03 -27.66 26.24 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 40' ' ' LEU . 2.6 tm? -67.68 -41.02 84.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.303 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' B' ' 1' ' ' SER . 15.3 pt-20 -58.38 -42.15 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -62.52 -44.76 95.58 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.975 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.83 92.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.201 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.505 ' SD ' HG22 ' A' ' 77' ' ' VAL . 57.7 ttp -64.22 -44.13 92.84 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.003 0.43 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.56 -43.85 95.41 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.618 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.409 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -57.24 -53.05 62.51 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.286 0.366 . . . . 0.0 111.526 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.56 -47.11 80.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.244 0.545 . . . . 0.0 111.487 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.97 -42.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.225 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 19.2 t70 -76.98 -22.71 52.75 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 9' ' ' ALA . 63.3 t -67.87 -37.38 78.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 121.659 -0.651 . . . . 0.0 109.591 173.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -71.68 -26.79 62.66 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.947 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 69.3 t60 -62.25 -43.47 98.76 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 121.348 0.594 . . . . 0.0 109.915 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.18 -22.71 67.04 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.885 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.18 144.66 40.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.18 0.514 . . . . 0.0 110.829 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -79.22 2.35 21.46 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.16 58.11 0.42 Allowed Glycine 0 C--O 1.198 -2.14 0 C-N-CA 119.637 -1.268 . . . . 0.0 114.089 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -127.1 -46.16 1.53 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.248 172.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.36 -40.77 20.89 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.77 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.918 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.36 -163.71 1.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' B' ' 24' ' ' LYS . 58.1 tttm -83.45 29.74 0.5 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.891 1.676 . . . . 0.0 109.122 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' B' ' 20' ' ' ARG . 31.8 m-70 70.48 7.37 6.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.91 1.284 . . . . 0.0 109.906 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.418 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 8.9 mmpt? -123.78 172.27 8.99 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.44 -18.54 12.42 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.528 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.7 mptt 73.53 131.82 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.17 1.388 . . . . 0.0 108.175 -168.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 81.3 mttt -63.68 -22.55 66.96 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.176 -0.328 . . . . 0.0 111.173 -176.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 34.0 t -56.93 -43.56 81.6 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.14 -17.15 60.46 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.469 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.43 -26.31 68.43 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 172.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.594 ' HB2' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -60.99 -34.16 74.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 174.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -74.13 -38.42 63.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.494 0.664 . . . . 0.0 109.476 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.38 -54.36 46.55 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.776 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.469 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.7 pt -64.04 -32.1 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.41 -31.44 67.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.325 0.583 . . . . 0.0 110.836 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -106.56 -60.66 1.63 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 49.3 mm-40 -78.19 -8.69 58.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -171.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.63 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.5 tt -80.74 -38.06 29.4 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.962 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -31.51 93.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.649 1.98 . . . . 0.0 115.251 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -139.49 80.23 1.76 Allowed 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.804 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 57.22 74.71 0.4 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.429 1.091 . . . . 0.0 111.089 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.457 ' H ' HD22 ' B' ' 44' ' ' LEU . 2.3 mm? -60.7 -35.66 76.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.537 -172.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -20.34 64.99 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.485 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.15 3.28 40.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.852 -173.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 pt -126.68 173.07 13.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.092 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -72.41 -78.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.454 ' O ' HG23 ' B' ' 53' ' ' VAL . 60.0 mt-10 54.02 -71.59 0.01 OUTLIER 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 177.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.13 -41.06 25.58 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -163.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.97 -38.9 76.2 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.958 0.885 . . . . 0.0 109.994 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.414 HG12 HG23 ' B' ' 56' ' ' VAL . 23.3 t -84.4 -30.21 7.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.946 -171.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' B' ' 57' ' ' MET . 86.6 t -54.27 -53.09 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.264 0.625 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 31.4 m-20 -65.58 -37.5 86.84 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.026 -176.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.39 -39.77 81.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.386 0.612 . . . . 0.0 109.702 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.414 HG23 HG12 ' B' ' 52' ' ' VAL . 3.5 t -59.66 -49.66 82.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.192 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.555 173.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.594 ' SD ' ' HB2' ' B' ' 33' ' ' LYS . 24.2 mmt -58.09 -38.34 76.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 42.6 mt-10 -63.46 -54.75 31.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 110.388 177.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 14.9 p -69.65 -45.56 68.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 21.8 tp -55.95 -47.13 78.15 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.237 1.015 . . . . 0.0 110.747 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.16 -36.97 64.14 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.499 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -78.06 -43.05 30.33 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.98 0.419 . . . . 0.0 112.025 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.2 -41.08 58.64 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.851 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -84.9 60.74 4.77 Favored Glycine 0 CA--C 1.495 -1.165 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.815 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.11 -37.99 89.24 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 124.472 1.109 . . . . 0.0 111.061 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.19 -29.07 0.52 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.031 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 9.3 mm-40 -114.86 148.21 38.86 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -171.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C ' ' B' ' 28' ' ' LYS . 42.1 t -150.81 123.17 8.39 Favored 'General case' 0 CA--C 1.476 -1.901 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 162.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.64 -174.63 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -77.08 -17.65 58.56 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.91 -36.32 56.73 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.745 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.95 -30.06 62.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.555 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -55.8 -52.76 62.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.452 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -48.01 83.44 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.414 0.626 . . . . 0.0 111.353 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -55.93 28.36 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.413 ' HA ' ' HG2' ' B' ' 79' ' ' MET 0.268 74.0 m-85 -67.4 -36.65 81.72 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -174.133 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.63 HG23 ' HG ' ' B' ' 40' ' ' LEU . 4.6 p -65.87 -46.69 87.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.213 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.17 78.42 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.608 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptm -78.9 -23.08 45.0 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.497 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.98 -38.7 14.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 118.048 -1.461 . . . . 0.0 109.904 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.515 ' OG1' HD21 ' B' ' 40' ' ' LEU . 91.8 m -74.32 -59.41 2.74 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 123.03 0.532 . . . . 0.0 112.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.2 m -85.32 -63.5 1.32 Allowed 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.887 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 60.96 127.7 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.5 t 69.15 -45.02 0.55 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.945 1.698 . . . . 0.0 113.307 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.94 80.66 1.67 Allowed 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 123.609 0.763 . . . . 0.0 110.213 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--N 1.312 -1.054 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.362 -179.314 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 39' ' ' GLU . 16.2 m . . . . . 0 C--O 1.257 1.462 0 CA-C-O 121.581 0.705 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.74 -44.93 70.33 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 125.336 1.455 . . . . 0.0 112.004 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 40' ' ' LEU . 4.6 mm? -66.53 -28.64 68.71 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.79 -58.92 6.13 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.398 0.436 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -25.33 67.08 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.49 -55.62 5.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttp -68.52 -34.61 76.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -66.13 -30.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB1' ' HG3' ' B' ' 2' ' ' GLU . . . -71.02 -35.04 71.87 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.602 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.93 -34.59 78.47 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 70.7 mt -71.76 -41.22 70.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.281 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.602 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 30.1 t70 -64.37 -29.71 70.77 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.97 0.891 . . . . 0.0 110.295 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.89 -35.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 13.4 m-85 -80.52 -9.37 59.77 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.814 0.816 . . . . 0.0 109.702 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 17.7 t60 -83.03 -43.46 16.31 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.584 HE21 ' HA ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -76.27 -46.44 27.98 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.483 179.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -96.33 126.06 41.27 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -151.39 106.74 3.33 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 121.379 0.609 . . . . 0.0 111.553 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.93 53.77 1.91 Allowed Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.558 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.4 ptt180 -59.37 -52.44 65.6 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.437 -0.881 . . . . 0.0 113.118 -173.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' OE1' ' HG3' ' A' ' 20' ' ' ARG . 8.5 mp0 -90.01 -50.82 5.8 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.187 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.04 -44.35 67.68 Favored Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -171.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' HD3' ' A' ' 28' ' ' LYS . 21.5 m-20 -101.18 34.66 2.46 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 112.045 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 61.69 33.31 18.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 111.415 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 41.2 t-80 82.94 -1.95 1.26 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.764 1.626 . . . . 0.0 113.295 174.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 7.0 mmpt? -120.91 -171.4 2.18 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.871 -0.518 . . . . 0.0 110.292 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.96 -35.42 13.31 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -171.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 30' ' ' SER . 13.8 mptt 63.99 174.67 0.18 Allowed 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.904 0.859 . . . . 0.0 110.754 -174.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.39 -19.05 59.77 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.929 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 4.7 m -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.26 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.09 -18.4 37.0 Favored 'General case' 0 CA--C 1.502 -0.868 0 C-N-CA 118.433 -1.307 . . . . 0.0 112.081 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD13 HG23 ' A' ' 36' ' ' ILE . 2.2 tm? -62.76 -26.99 68.98 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 30' ' ' SER . 4.2 ttmm -56.63 -55.49 33.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.47 1.108 . . . . 0.0 110.787 173.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.92 -27.71 68.39 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.243 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 40' ' ' LEU . 29.3 tp -66.05 -58.38 5.62 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.85 176.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.567 ' HA ' HD13 ' A' ' 40' ' ' LEU . 10.2 pt -55.66 -41.1 63.37 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 123.604 0.762 . . . . 0.0 113.024 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -73.58 -33.26 64.55 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -117.21 -78.41 0.58 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -76.96 -12.09 59.9 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.546 0.689 . . . . 0.0 112.691 -169.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 36' ' ' ILE . 8.0 tt -78.35 -42.43 30.55 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.006 0.431 . . . . 0.0 110.279 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 69.3 p -135.01 -166.28 1.8 Allowed 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.942 -166.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -99.58 -47.56 5.06 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 170.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -167.38 -55.92 0.03 OUTLIER 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.233 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD12 ' HG2' ' A' ' 49' ' ' GLU . 3.0 mm? 68.79 127.75 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.92 1.288 . . . . 0.0 111.569 -173.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -122.63 -86.6 0.65 Allowed 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -169.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -138.54 40.47 2.22 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.174 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -88.35 -49.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 120.74 0.305 . . . . 0.0 111.078 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -174.15 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.529 ' HG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -51.3 -31.23 20.71 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 126.909 2.084 . . . . 0.0 113.68 175.297 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -48.01 -35.32 10.81 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.433 1.093 . . . . 0.0 112.484 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -43.77 69.24 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.518 HG11 ' O ' ' A' ' 79' ' ' MET . 22.1 t -81.71 -30.22 10.46 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.493 -174.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 56' ' ' VAL . 77.1 t -60.63 -40.9 86.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.006 0.432 . . . . 0.0 110.742 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.22 -42.63 83.74 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.488 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.67 -33.39 75.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.304 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.4 p -70.49 -35.29 61.18 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.1 mmt -67.47 -39.23 85.26 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.84 -55.22 20.84 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -63.13 -39.07 93.61 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.0 0.52 . . . . 0.0 111.28 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.678 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 4.9 tp -51.78 -51.21 58.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.249 1.02 . . . . 0.0 109.794 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -72.23 -38.48 68.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.763 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.88 -59.95 3.88 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.076 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.34 -51.86 13.9 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.414 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.68 -86.68 0.07 OUTLIER Glycine 0 C--O 1.258 1.623 0 O-C-N 123.88 0.738 . . . . 0.0 113.829 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.98 172.28 8.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.63 0.772 . . . . 0.0 109.273 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.51 96.8 2.43 Favored Glycine 1 N--CA 1.394 -4.143 0 N-CA-C 104.45 -3.46 . . . . 0.0 104.45 -169.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.24 101.27 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.284 1.226 . . . . 0.0 111.167 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 t -79.99 122.93 27.34 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -140.6 -159.83 1.0 Allowed 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -51.01 -32.74 22.29 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -72.11 -55.18 7.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.226 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 50.4 mt-10 -68.26 -33.22 73.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.544 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 77' ' ' VAL . 8.4 m-85 -54.05 -55.53 26.56 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.325 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.9 99.44 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.308 0.38 . . . . 0.0 111.169 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.67 85.8 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.538 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 32.7 m-85 -76.01 -45.17 35.9 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 73' ' ' PHE . 5.8 p -62.94 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -71.57 -24.33 61.9 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.587 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.607 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 22.3 ptt? -85.12 -29.66 24.65 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.398 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.98 -43.13 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.716 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.53 -57.71 3.03 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.397 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 24.1 m -81.63 -68.2 0.71 Allowed 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.491 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 58.91 -84.76 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.819 1.248 . . . . 0.0 111.711 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.72 118.3 15.92 Favored 'General case' 0 N--CA 1.414 -2.255 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.7 m80 56.06 89.52 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 82' ' ' THR . 76.5 mm-40 . . . . . 0 C--N 1.318 -0.794 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.237 0.413 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -169.432 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.454 ' HB2' ' HG3' ' B' ' 4' ' ' GLU . 12.9 m . . . . . 0 C--O 1.265 1.89 0 CA-C-O 121.292 0.568 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.436 ' HG3' ' HB1' ' A' ' 9' ' ' ALA . 5.4 tp10 -55.53 -43.68 75.97 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.279 1.031 . . . . 0.0 111.998 -172.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 mm? -66.74 -29.29 69.22 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' B' ' 1' ' ' SER . 50.7 mt-10 -60.19 -58.99 6.17 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 123.475 0.484 . . . . 0.0 110.36 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -24.61 67.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.434 -175.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.16 -55.13 5.7 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.266 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttp -68.72 -34.98 76.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.76 -30.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.1 71.49 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.407 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.22 -34.68 78.57 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.4 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 88.7 mt -72.2 -41.65 66.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.079 176.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 32.7 t70 -65.65 -25.52 67.39 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 122.046 0.927 . . . . 0.0 110.309 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.7 -34.82 72.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.574 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 14.5 m-85 -78.77 -13.33 59.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.146 0.974 . . . . 0.0 109.001 176.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.576 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 24.9 t60 -77.76 -44.5 27.49 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.792 -1.094 . . . . 0.0 108.582 175.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.648 HE21 ' HA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -75.11 -48.23 24.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.95 121.66 35.64 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -143.17 113.75 7.47 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.376 0.608 . . . . 0.0 110.991 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.67 47.8 1.07 Allowed Glycine 0 CA--C 1.495 -1.209 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.53 ' HA ' ' HA ' ' B' ' 25' ' ' HIS . 7.8 ptt180 -54.39 -50.68 66.97 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.506 1.122 . . . . 0.0 112.974 -174.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.431 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 2.0 mp0 -92.05 -56.07 3.21 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.005 0.431 . . . . 0.0 111.604 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.96 80.58 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 115.6 1.0 . . . . 0.0 115.6 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.59 32.74 2.46 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.566 0.698 . . . . 0.0 112.183 -173.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 61.88 37.37 15.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.467 1.107 . . . . 0.0 111.44 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' B' ' 20' ' ' ARG . 32.4 t-80 79.74 -1.26 2.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.272 1.429 . . . . 0.0 113.138 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 6.5 mmpt? -124.22 -173.78 2.85 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.961 -0.462 . . . . 0.0 110.258 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.84 -36.72 14.05 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -170.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 64.38 175.25 0.19 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.881 0.848 . . . . 0.0 110.856 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.54 -19.19 59.49 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.166 174.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 11.7 m -63.54 -36.61 84.35 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.516 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.13 -18.78 33.16 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.32 -1.352 . . . . 0.0 112.126 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.8 -27.8 69.43 Favored 'General case' 0 CA--C 1.563 1.465 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.509 ' HB2' HD21 ' B' ' 60' ' ' LEU . 4.2 ttmm -55.67 -55.76 28.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.737 1.215 . . . . 0.0 110.487 174.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.3 -28.69 69.49 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.411 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' B' ' 40' ' ' LEU . 29.7 tp -66.09 -57.65 7.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.842 177.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.589 HG22 HD13 ' B' ' 40' ' ' LEU . 8.3 pt -55.09 -40.09 53.23 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 123.35 0.66 . . . . 0.0 112.636 -177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -75.34 -36.95 60.94 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.938 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -110.29 -77.52 0.59 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -170.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 1' ' ' SER . 11.6 tp10 -83.18 -11.43 57.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -168.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.589 HD13 HG22 ' B' ' 36' ' ' ILE . 8.0 tt -78.26 -45.89 21.68 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.205 0.526 . . . . 0.0 109.992 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.523 ' HB2' ' CD2' ' B' ' 44' ' ' LEU . 69.4 p -132.99 -168.77 2.13 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.065 -168.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -94.35 -57.68 2.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -157.78 -59.42 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.972 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' B' ' 41' ' ' SER 0.268 3.2 mm? 73.41 127.88 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.71 1.604 . . . . 0.0 111.406 -174.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -125.93 -85.1 0.63 Allowed 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -167.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.06 41.23 2.29 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.432 -171.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.92 -53.69 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 122.026 -0.421 . . . . 0.0 111.133 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -172.27 -44.76 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.508 ' HG2' HD12 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -49.17 -32.25 9.88 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 126.935 2.094 . . . . 0.0 113.974 173.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -47.63 -34.44 7.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.695 1.198 . . . . 0.0 112.699 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.12 -45.46 63.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.472 HG11 ' O ' ' B' ' 79' ' ' MET . 22.0 t -79.37 -30.8 14.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.412 -174.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 56' ' ' VAL . 92.5 t -60.46 -42.43 91.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.959 0.409 . . . . 0.0 110.508 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.27 -40.18 93.58 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.802 0.811 . . . . 0.0 109.517 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -69.28 -32.76 72.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.113 -0.949 . . . . 0.0 113.358 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.697 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.3 p -70.47 -34.08 56.27 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.568 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.6 mmt -68.54 -39.55 81.07 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.72 -56.21 17.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.526 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.3 p -63.48 -38.93 93.01 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.805 0.442 . . . . 0.0 111.668 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.697 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 4.9 tp -50.74 -51.45 50.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.168 0.987 . . . . 0.0 109.658 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.0 -41.67 70.64 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 113.791 -1.55 . . . . 0.0 112.192 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.27 -58.32 6.87 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.95 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.78 -53.68 9.74 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.037 -174.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -85.82 0.07 OUTLIER Glycine 0 C--O 1.26 1.762 0 CA-C-N 115.683 -0.689 . . . . 0.0 113.816 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.33 168.74 10.06 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.394 1.078 . . . . 0.0 109.578 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.89 96.3 2.44 Favored Glycine 0 N--CA 1.402 -3.617 0 N-CA-C 104.945 -3.262 . . . . 0.0 104.945 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.28 101.74 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.46 1.33 . . . . 0.0 111.156 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 t -80.42 119.88 23.7 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.43 -159.85 1.0 Allowed 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.54 -35.49 41.04 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -68.47 -51.58 41.91 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.3 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.475 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 50.8 mt-10 -71.02 -34.35 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.163 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.619 ' O ' HG12 ' B' ' 77' ' ' VAL . 8.4 m-85 -54.38 -53.27 56.23 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.28 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -43.05 99.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.471 0.482 . . . . 0.0 111.377 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.0 71.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.057 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.475 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 32.1 m-85 -68.93 -43.73 74.52 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.619 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -64.78 -45.36 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.932 0.396 . . . . 0.0 111.982 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -71.83 -26.59 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.639 -176.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.589 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 23.1 ptt? -81.86 -32.53 31.05 Favored 'General case' 0 C--O 1.205 -1.287 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.262 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.81 -43.65 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.22 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 57.5 m -84.27 -55.74 4.02 Favored 'General case' 0 N--CA 1.423 -1.822 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.366 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.566 ' HA ' ' HG3' ' B' ' 86' ' ' GLU . 17.8 m -83.27 -69.49 0.63 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.788 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 58.24 -87.4 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.4 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 m -133.43 119.5 19.69 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 m80 57.17 89.45 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' B' ' 82' ' ' THR . 75.1 mm-40 . . . . . 0 C--N 1.315 -0.934 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 169.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.487 ' HA ' ' OE2' ' A' ' 4' ' ' GLU . 35.9 p . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 120.591 0.234 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.92 -45.59 67.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.92 0.39 . . . . 0.0 110.161 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 3.4 tm? -76.43 -34.14 58.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' OE2' ' HA ' ' A' ' 1' ' ' SER . 43.3 mt-10 -54.02 -41.97 68.61 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 124.069 0.856 . . . . 0.0 109.315 177.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.49 -55.33 9.21 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.589 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.53 66.79 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.4 ttp -67.83 -37.2 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.082 0.468 . . . . 0.0 111.167 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.97 -39.04 76.97 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.007 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.88 88.16 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.55 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.26 4.4 pp -66.72 -31.34 71.94 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.3 pt -84.21 -25.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.52 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.77 -39.05 24.7 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.714 -176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.82 -31.36 53.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.27 -53.65 52.1 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -58.59 -52.76 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.956 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -78.63 -9.06 59.24 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.22 -33.7 61.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.052 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB2' HD21 ' A' ' 27' ' ' LEU . 49.7 m -150.5 90.53 1.65 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.28 -35.34 23.81 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.971 -172.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.494 ' HG3' ' OE2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -64.33 -27.23 68.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.858 0.829 . . . . 0.0 111.162 -175.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' OE2' ' HG3' ' A' ' 20' ' ' ARG . 1.1 pm0 -97.56 -54.12 3.23 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.68 -45.51 78.07 Favored Glycine 0 C--N 1.314 -0.64 0 O-C-N 124.22 0.95 . . . . 0.0 114.755 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -20.61 66.07 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.455 0.645 . . . . 0.0 111.421 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -99.62 -45.46 5.77 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.871 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -150.36 40.52 0.77 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.887 -173.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.44 -170.39 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.366 0.603 . . . . 0.0 110.086 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 18' ' ' SER . 91.0 mt -115.51 138.27 51.2 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 174.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HD2' ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -75.32 155.02 37.02 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.314 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 63.0 mttp -57.63 -25.35 60.01 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -176.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.597 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 1.5 m -63.07 -25.64 68.46 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 122.861 0.464 . . . . 0.0 110.578 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.53 -28.23 26.82 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.865 0.84 . . . . 0.0 109.169 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.2 tm? -64.14 -27.75 69.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.053 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -52.33 -45.86 65.82 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 124.854 1.262 . . . . 0.0 111.816 175.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.546 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.8 mt-10 -77.28 -33.5 55.79 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.279 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' HD13 ' A' ' 40' ' ' LEU . 37.6 tp -66.16 -33.03 74.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.667 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 7.6 pt -73.44 -38.34 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 176.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.59 -30.81 70.91 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 123.673 0.608 . . . . 0.0 111.414 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.46 -55.58 2.37 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -173.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -102.82 -50.85 3.43 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.472 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.667 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.7 mp -63.81 -35.36 80.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -125.54 102.21 7.27 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -110.26 20.37 17.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 79.2 m-85 -119.61 -60.13 1.75 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.623 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp 65.2 -59.24 0.27 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.565 1.546 . . . . 0.0 114.811 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.92 -23.73 44.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.371 0.605 . . . . 0.0 111.81 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 21.7 mm-40 -83.2 -168.74 2.21 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 48' ' ' LYS . 3.3 mt 59.68 -144.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' H ' HG22 ' A' ' 47' ' ' ILE . 24.9 tptp -169.98 83.58 0.11 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.1 pt-20 -146.15 7.36 1.03 Allowed 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.829 -170.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.89 -28.61 69.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -74.78 -50.98 15.33 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 80' ' ' VAL . 48.1 t -64.25 -39.81 86.83 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.738 -175.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.483 ' O ' ' HG2' ' A' ' 57' ' ' MET . 74.2 t -57.19 -40.41 73.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 O-C-N 123.423 0.452 . . . . 0.0 111.529 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.74 -43.3 76.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.824 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.03 -36.52 84.25 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.964 0.888 . . . . 0.0 109.952 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.58 -44.75 97.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.91 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.137 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.5 mmt -63.74 -22.6 66.99 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -76.66 -59.16 2.89 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.781 0.801 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 p -64.75 -41.6 95.79 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.804 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 18.4 tp -59.31 -39.7 83.87 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 123.249 0.62 . . . . 0.0 110.335 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.16 -47.61 56.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.704 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -54.98 14.86 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.005 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.13 -14.54 61.4 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -77.05 51.93 3.25 Favored Glycine 0 C--N 1.301 -1.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.157 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.47 -36.54 26.41 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 120.972 0.415 . . . . 0.0 111.019 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.34 -62.3 0.12 Allowed Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.164 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.42 -179.24 6.29 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.333 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -125.75 122.74 37.11 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HB3' ' HG3' ' A' ' 72' ' ' GLU . 17.5 t70 -80.78 162.07 24.22 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -60.34 -31.06 69.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.473 0.654 . . . . 0.0 110.484 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.27 -36.9 74.71 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.049 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 55.2 mt-10 -72.2 -26.91 62.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.363 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' HG12 ' A' ' 77' ' ' VAL . 4.6 t80 -56.08 -58.86 6.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -41.54 99.27 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.014 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.25 -55.09 37.53 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -65.74 -41.63 91.93 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 73' ' ' PHE . 14.9 p -74.48 -40.34 48.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.083 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -26.81 61.57 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 121.707 -0.62 . . . . 0.0 111.138 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -79.67 -26.77 40.89 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.053 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 52' ' ' VAL . 26.9 m -76.51 -53.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.553 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.465 ' HA ' HG21 ' A' ' 47' ' ' ILE . 55.5 m -82.95 -38.43 22.75 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 m -99.47 -50.12 4.2 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.55 -24.65 57.31 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -173.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.409 ' SG ' HG21 ' A' ' 52' ' ' VAL . 65.8 m -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -132.79 -21.4 2.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.091 -0.381 . . . . 0.0 111.013 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 CA--C 1.512 -0.5 0 C-N-CA 124.42 1.088 . . . . 0.0 108.859 -176.805 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 . . . . . 0 N--CA 1.429 -1.494 0 CA-C-O 119.77 -0.157 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 N--CA 1.476 0.868 0 O-C-N 124.548 1.155 . . . . 0.0 108.331 -173.684 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 15.2 p . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 3.4 tm? -75.8 -33.94 60.15 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.94 -39.08 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.894 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 1' ' ' SER . 53.2 mtmt -72.9 -56.49 5.12 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.682 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.28 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.49 -37.99 80.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.406 -176.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.24 -38.24 69.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.727 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.82 90.41 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.799 0.44 . . . . 0.0 111.62 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . 0.262 4.3 pp -67.79 -30.75 70.26 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.0 pt -84.39 -27.09 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 119.34 -0.944 . . . . 0.0 110.583 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -76.64 -42.32 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.37 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.26 -54.39 34.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.11 -52.44 65.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.002 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.9 -9.18 59.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.318 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.43 ' HB3' ' CD ' ' B' ' 21' ' ' GLU . 49.0 m -151.63 93.95 1.93 Allowed 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.2 -10.04 59.98 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.45 ' HG3' ' OE1' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -82.02 -24.45 35.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.878 1.339 . . . . 0.0 109.32 -179.281 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -102.75 -55.55 2.41 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.249 178.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.54 -44.36 67.67 Favored Glycine 0 N--CA 1.467 0.756 0 O-C-N 124.103 0.877 . . . . 0.0 114.15 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.81 -26.42 68.73 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.463 0.649 . . . . 0.0 111.183 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -96.48 -54.62 3.19 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.01 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -142.02 41.2 1.66 Allowed 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.557 -173.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmpp? 62.95 -172.79 0.16 Allowed 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.399 0.618 . . . . 0.0 110.599 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' B' ' 18' ' ' SER . 90.0 mt -112.99 140.04 48.14 Favored 'General case' 0 CA--C 1.473 -2.013 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -77.84 155.79 30.81 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.547 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.447 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 63.8 mttp -57.44 -25.32 59.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.568 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 9.5 m -64.37 -24.86 67.79 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -84.53 -26.48 28.04 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.011 0.91 . . . . 0.0 108.917 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.447 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.2 tm? -66.42 -27.68 68.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.051 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.568 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.5 OUTLIER -52.87 -46.99 68.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 0.0 111.715 175.316 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.506 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 50.6 mt-10 -73.74 -34.73 64.87 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.737 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' B' ' 40' ' ' LEU . 35.3 tp -67.14 -34.93 78.62 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.052 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.673 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 8.0 pt -72.41 -38.93 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.46 -25.28 67.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 123.471 0.482 . . . . 0.0 111.984 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.51 -54.42 2.49 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -105.01 -52.88 2.76 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.399 -0.521 . . . . 0.0 112.2 -173.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.673 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.9 mp -62.99 -33.59 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.188 -174.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -129.37 96.36 4.27 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 172.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -101.58 9.98 40.69 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.127 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' B' ' 46' ' ' GLU . 64.3 m-85 -110.67 -59.11 2.0 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.333 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp 65.57 -66.5 0.15 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.15 1.38 . . . . 0.0 113.844 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.35 -24.16 62.05 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.149 0.5 . . . . 0.0 111.568 -175.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' B' ' 43' ' ' PHE . 30.9 mm-40 -80.3 -169.38 2.06 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.961 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' B' ' 81' ' ' THR . 4.3 mt 61.11 -137.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.44 ' H ' HG22 ' B' ' 47' ' ' ILE . 22.7 tptp -174.93 79.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.885 1.274 . . . . 0.0 107.571 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' B' ' 80' ' ' VAL . 7.8 pt-20 -140.18 8.62 2.27 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.663 -171.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -61.54 -33.72 74.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 0.0 111.119 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -47.91 61.13 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.439 HG12 HG12 ' B' ' 80' ' ' VAL . 44.7 t -65.4 -41.11 90.38 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.467 -174.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.6 t -56.82 -40.5 71.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 O-C-N 123.336 0.398 . . . . 0.0 111.507 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.58 -45.65 78.57 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.337 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.532 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 56.0 mtpt -64.83 -33.99 77.3 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.954 0.883 . . . . 0.0 110.056 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.088 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.8 mmt -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.532 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 42.6 mt-10 -74.22 -58.38 3.34 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.644 0.735 . . . . 0.0 109.076 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 p -65.24 -42.1 93.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.887 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' B' ' 29' ' ' LYS . 18.5 tp -60.15 -37.67 80.83 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.372 0.669 . . . . 0.0 110.162 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.17 -53.58 19.32 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.479 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.41 49.87 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.873 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -13.7 61.1 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 121.582 0.706 . . . . 0.0 110.573 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -80.78 65.34 3.94 Favored Glycine 0 C--N 1.291 -1.952 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.97 -43.14 10.15 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.087 0.47 . . . . 0.0 110.568 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.5 -59.91 0.19 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.195 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -143.71 -178.35 5.86 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -175.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.33 123.09 30.93 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.9 164.81 18.15 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.144 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -59.25 -32.76 70.29 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 122.975 0.51 . . . . 0.0 111.015 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -69.2 -36.89 77.77 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.085 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.46 -28.43 62.93 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.249 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.466 ' O ' HG12 ' B' ' 77' ' ' VAL . 4.3 t80 -55.18 -58.55 7.21 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -41.67 98.79 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.247 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.31 -57.14 13.04 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.008 0.523 . . . . 0.0 112.255 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 73' ' ' PHE . 13.6 p -73.49 -40.52 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.032 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.42 -27.13 62.15 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -80.08 -26.11 39.75 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 118.353 -1.339 . . . . 0.0 112.237 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 28.2 m -77.19 -51.92 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.17 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.481 ' HA ' HG21 ' B' ' 47' ' ' ILE . 60.7 m -84.24 -35.72 23.22 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -103.84 -46.12 4.58 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -173.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.97 -18.29 56.47 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.58 -29.4 66.93 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -121.82 -14.16 8.14 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.908 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.471 0.618 0 O-C-N 124.144 0.903 . . . . 0.0 109.153 -178.551 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.447 ' HB3' ' HA ' ' B' ' 39' ' ' GLU . 51.0 m . . . . . 0 CA--C 1.557 1.212 0 CA-C-O 121.502 0.667 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -90.75 -48.16 7.21 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.163 -0.961 . . . . 0.0 110.764 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.4 tm? -63.57 -29.67 70.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 22.4 tt0 -53.54 -56.35 17.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.08 173.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -63.18 -27.61 69.48 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.461 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -64.41 -48.74 74.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.961 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -60.4 -41.53 94.07 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.687 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.97 -39.85 86.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.212 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -64.82 -37.56 88.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.852 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.757 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 3.9 mm? -59.19 -45.07 92.03 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.966 0.412 . . . . 0.0 111.672 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.3 pt -80.63 -32.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.668 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.3 t70 -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.75 0.309 . . . . 0.0 111.761 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.95 -30.32 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.514 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -75.04 -29.9 60.91 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 14.7 t60 -64.98 -38.2 90.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.27 1.028 . . . . 0.0 110.171 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -55.77 -40.06 72.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.694 0.759 . . . . 0.0 109.827 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.28 -161.6 0.85 Allowed 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 140.76 22.48 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.425 -0.797 . . . . 0.0 110.963 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.86 79.93 1.39 Allowed Glycine 0 N--CA 1.428 -1.882 0 N-CA-C 107.953 -2.059 . . . . 0.0 107.953 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -25.76 10.13 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.549 1.14 . . . . 0.0 112.059 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 25' ' ' HIS . 5.2 tm-20 -67.87 -22.16 65.13 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 126.533 1.933 . . . . 0.0 110.302 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.24 28.87 10.14 Favored Glycine 0 CA--C 1.497 -1.068 0 N-CA-C 108.041 -2.024 . . . . 0.0 108.041 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' CG ' ' HD1' ' B' ' 85' ' ' HIS 0.397 34.7 t70 35.91 64.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -115.9 -30.78 5.97 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 166.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB2' ' HG3' ' A' ' 21' ' ' GLU . 38.0 m80 -131.24 36.82 3.78 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.084 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.597 ' HD2' ' O ' ' A' ' 68' ' ' CYS . 26.3 mtmt 40.83 -102.62 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 172.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 92.2 mt -154.3 168.99 24.75 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HD2' ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -95.82 158.74 15.31 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.281 178.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -62.16 -19.63 63.27 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 32.8 t -65.43 -22.51 66.77 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.03 -29.99 43.91 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 73' ' ' PHE . 3.4 tm? -58.52 -27.0 64.1 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.42 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 30' ' ' SER . 1.7 tmmm? -55.89 -49.18 74.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.74 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -69.6 -28.84 66.28 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.236 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.89 -59.55 5.2 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.846 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.4 pt -60.79 -30.39 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -54.1 -38.28 65.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -116.6 -38.44 3.49 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.581 0.705 . . . . 0.0 112.665 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.573 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 68.1 mm-40 -83.92 24.34 0.92 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 77' ' ' VAL . 1.2 tt -138.83 -53.8 0.59 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -176.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -60.18 118.52 6.46 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -145.05 -74.18 0.24 Allowed 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -146.55 83.88 1.61 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.697 0.76 . . . . 0.0 109.353 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -149.91 111.54 4.5 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.77 -18.53 1.63 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -143.34 17.6 1.88 Allowed 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 47' ' ' ILE . 1.9 mp -82.42 -100.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.916 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -115.4 -8.34 12.24 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 123.027 1.394 . . . . 0.0 109.003 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.5 pt-20 -52.84 -37.36 60.06 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.842 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -53.59 -39.24 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.811 0.444 . . . . 0.0 111.376 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.53 -55.01 4.73 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.835 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.98 -40.06 79.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.221 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -171.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' A' ' 57' ' ' MET . 71.3 t -52.99 -51.33 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.269 0.486 . . . . 0.0 110.435 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.27 -42.25 84.17 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.244 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.77 -36.58 84.35 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.271 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -62.9 -48.28 88.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 123.564 0.745 . . . . 0.0 109.718 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.8 mmt -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.38 -53.61 10.31 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.5 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 p -64.86 -44.5 89.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -57.57 -45.59 85.01 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.525 0.516 . . . . 0.0 111.214 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.51 -28.41 24.98 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.962 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.74 -44.39 93.66 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.21 -49.13 65.7 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.35 -82.21 0.46 Allowed Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.49 0.956 . . . . 0.0 115.49 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.59 150.37 34.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.39 96.65 0.38 Allowed Glycine 0 N--CA 1.398 -3.878 0 N-CA-C 106.426 -2.67 . . . . 0.0 106.426 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 27' ' ' LEU 0.287 0.0 OUTLIER -56.94 111.1 0.94 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.146 0.974 . . . . 0.0 112.461 179.857 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.597 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 24.5 p -61.32 121.28 12.21 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 114.003 -1.453 . . . . 0.0 113.692 -165.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.96 163.19 14.09 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.417 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -58.75 -26.87 64.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.67 0.747 . . . . 0.0 110.024 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.84 -36.77 85.01 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.237 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 48.9 mt-10 -77.91 -35.3 50.79 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.2 m-85 -54.96 -54.25 45.22 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.756 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.37 -46.08 91.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.011 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -54.68 -58.98 5.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 123.798 0.686 . . . . 0.0 112.257 -177.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 93.6 m-85 -63.97 -43.3 96.16 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG ' ' A' ' 40' ' ' LEU . 8.8 p -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.4 66.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.571 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 25.2 ptt? -76.03 -23.58 55.15 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.28 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.495 HG11 HD11 ' A' ' 40' ' ' LEU . 7.6 p -79.59 -28.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.41 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -78.2 -43.84 27.38 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.838 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.5 p -118.03 -63.75 1.38 Allowed 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.25 -0.281 . . . . 0.0 111.582 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 93.6 -74.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.769 2.028 . . . . 0.0 112.828 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.0 t -110.12 -74.28 0.66 Allowed 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.745 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -142.86 29.03 1.53 Allowed 'General case' 0 CA--C 1.488 -1.425 0 CA-C-O 122.277 1.037 . . . . 0.0 110.481 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 . . . . . 0 C--N 1.295 -1.799 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.998 179.116 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 N--CA 1.425 -1.7 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -168.106 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.457 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 16.4 m . . . . . 0 C--O 1.254 1.34 0 CA-C-O 120.928 0.394 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -89.89 -46.57 8.46 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 121.831 -0.543 . . . . 0.0 110.414 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.3 tm? -65.14 -30.56 71.49 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' B' ' 1' ' ' SER . 25.1 tt0 -52.83 -56.24 17.21 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.277 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -63.75 -25.74 68.33 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.726 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -66.08 -46.87 76.16 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -61.69 -41.85 98.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.489 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.97 -40.41 88.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.21 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -64.93 -37.94 89.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.023 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.756 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 3.9 mm? -59.45 -43.99 93.07 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.012 0.434 . . . . 0.0 111.606 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 pt -81.11 -33.26 12.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 C-N-CA 120.109 -0.637 . . . . 0.0 111.814 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 24.6 t70 -70.75 -30.97 67.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.503 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.13 -31.25 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.558 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -76.85 -25.21 52.9 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 8.4 t60 -67.96 -38.48 82.81 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.337 1.055 . . . . 0.0 109.603 173.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 33.7 mm-40 -56.75 -45.01 82.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.567 0.699 . . . . 0.0 109.793 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -88.03 -166.5 1.6 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t -143.93 139.52 29.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.595 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.76 75.58 1.66 Allowed Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 172.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.478 ' NH1' ' HA ' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -52.2 -26.21 11.07 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.988 1.315 . . . . 0.0 112.099 -174.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.87 -24.1 66.08 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 125.735 1.614 . . . . 0.0 109.58 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.9 31.43 7.73 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . 0.381 34.6 t70 33.58 67.24 0.2 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -173.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.42 -32.23 4.41 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 166.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -130.86 38.07 3.73 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.91 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.603 ' HD2' ' O ' ' B' ' 68' ' ' CYS . 23.8 mtmt 39.09 -101.42 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 172.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 94.0 mt -155.38 170.03 22.86 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -96.38 158.77 15.28 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 118.226 -1.39 . . . . 0.0 110.517 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.22 -20.95 64.73 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 47.5 t -65.25 -22.99 66.93 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.68 -27.05 37.18 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 109.516 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.47 -25.44 66.04 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.089 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.7 tmmm? -55.93 -49.71 72.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.748 173.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.29 -32.48 74.16 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.655 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -58.09 9.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.278 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.415 HG22 HD12 ' B' ' 40' ' ' LEU . 10.4 pt -63.06 -26.84 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.338 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -112.89 -54.97 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.025 0.44 . . . . 0.0 110.584 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 55.1 mm-40 -73.45 30.04 0.07 Allowed 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 125.462 1.505 . . . . 0.0 114.85 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.1 tt -143.64 -49.7 0.31 Allowed 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.8 m -68.46 120.39 14.45 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.504 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -146.49 -68.52 0.27 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -150.5 88.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.509 1.124 . . . . 0.0 108.873 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.01 110.77 2.39 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.53 -30.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.24 15.36 11.41 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -167.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.435 HD12 ' N ' ' B' ' 47' ' ' ILE 0.304 1.9 mp -85.66 -105.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.534 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.847 -176.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -114.14 -6.73 13.06 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 123.298 1.523 . . . . 0.0 108.682 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.424 ' O ' HG23 ' B' ' 53' ' ' VAL . 10.7 pt-20 -57.08 -35.64 69.62 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 112.398 -2.183 . . . . 0.0 112.909 -177.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -54.37 -37.16 64.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.368 0.604 . . . . 0.0 111.105 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.75 -54.82 4.83 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.09 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.08 -38.84 81.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -171.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' B' ' 57' ' ' MET . 72.8 t -53.06 -50.25 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 118.329 0.513 . . . . 0.0 110.209 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.64 -39.28 77.2 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.514 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -37.6 87.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.166 0.508 . . . . 0.0 109.723 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.83 -49.75 82.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.874 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.6 mmt -60.64 -32.8 71.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.52 -50.88 10.82 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.796 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.1 p -67.0 -43.15 83.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' B' ' 76' ' ' PHE . 37.9 tp -57.26 -46.55 82.96 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 123.521 0.513 . . . . 0.0 111.534 -177.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.15 -29.16 26.9 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.6 -45.14 91.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.86 -45.32 74.88 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 174.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 -82.58 0.19 Allowed Glycine 0 C--O 1.247 0.914 0 N-CA-C 115.449 0.939 . . . . 0.0 115.449 169.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.13 145.72 33.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.62 0.17 Allowed Glycine 0 N--CA 1.402 -3.612 0 N-CA-C 106.458 -2.657 . . . . 0.0 106.458 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' B' ' 27' ' ' LEU 0.295 0.0 OUTLIER -54.64 110.77 0.69 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.366 1.079 . . . . 0.0 112.762 -179.129 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.603 ' O ' ' HD2' ' B' ' 26' ' ' LYS . 22.2 p -62.91 123.98 19.9 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.791 -1.549 . . . . 0.0 114.545 -164.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -95.07 167.4 11.4 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.222 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -59.63 -27.95 66.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.435 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.85 -36.2 82.47 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.962 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.526 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 46.9 mt-10 -79.03 -35.99 41.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.565 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.58 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.2 m-85 -54.9 -54.02 47.93 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.757 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.29 -44.61 96.12 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.166 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -55.8 -59.3 5.07 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 123.554 0.534 . . . . 0.0 112.247 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 91.7 m-85 -62.46 -44.86 95.38 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG ' ' B' ' 40' ' ' LEU . 9.1 p -69.15 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.89 -38.4 61.89 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 24.9 ptt? -75.99 -23.94 55.3 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.043 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.475 HG11 HD11 ' B' ' 40' ' ' LEU . 7.8 p -79.02 -27.49 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.252 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -81.83 -39.82 23.42 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.22 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.9 p -123.44 -58.89 1.59 Allowed 'General case' 0 C--O 1.213 -0.84 0 O-C-N 122.089 -0.382 . . . . 0.0 112.018 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 85.42 -71.49 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.627 1.571 . . . . 0.0 113.375 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.9 t -110.56 -73.14 0.69 Allowed 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.652 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.414 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 66.5 m-70 -144.39 29.55 1.28 Allowed 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.088 0.947 . . . . 0.0 111.066 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--N 1.294 -1.823 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.037 179.532 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -73.07 -53.9 9.9 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.184 0.594 . . . . 0.0 110.567 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -38.99 92.59 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.926 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 37.5 tt0 -50.76 -57.94 7.15 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.969 1.308 . . . . 0.0 110.746 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 36.3 ttpt -53.64 -45.34 70.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.798 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -63.83 -49.41 72.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.712 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.74 -46.25 91.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.306 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.57 -43.76 98.37 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -62.39 -35.75 80.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 13' ' ' VAL . 98.2 mt -65.88 -49.89 66.46 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.198 0.523 . . . . 0.0 111.288 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 pt -73.36 -35.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.539 ' HA ' ' HB3' ' A' ' 15' ' ' HIS . 31.9 t70 -74.11 -22.69 59.38 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 10' ' ' LEU . 7.3 p -67.18 -44.58 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.547 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.638 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -90.99 20.18 5.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.473 1.13 . . . . 0.0 111.955 175.332 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 12' ' ' ASP . 23.1 t60 -95.07 -40.15 9.78 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -76.11 -47.11 25.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.579 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' HD1' ' A' ' 14' ' ' PHE . 75.0 m-85 -93.15 130.29 38.85 Favored 'General case' 0 C--O 1.198 -1.646 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 t -157.6 177.5 11.33 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.464 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -92.47 -160.5 35.9 Favored Glycine 0 N--CA 1.43 -1.759 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.161 -178.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -35.42 4.19 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.435 -0.383 . . . . 0.0 111.675 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -134.07 -75.43 0.47 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.475 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.27 -36.1 35.79 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.572 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -87.98 1.6 53.76 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.414 0.626 . . . . 0.0 110.734 -175.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -92.27 -28.86 16.72 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -77.72 -60.05 2.53 Favored 'General case' 0 C--O 1.207 -1.16 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 52.8 mtpt -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 171.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HG ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mm? -65.4 -25.86 67.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -162.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 70.74 146.08 0.07 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.594 1.158 . . . . 0.0 111.127 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.82 -33.77 73.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.01 0.434 . . . . 0.0 111.863 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -61.49 -34.31 75.26 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.164 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.71 -26.7 25.75 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.315 0.579 . . . . 0.0 110.389 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.3 tm? -64.0 -22.21 66.83 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -55.95 -58.28 8.56 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.373 1.069 . . . . 0.0 109.74 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -53.51 -40.04 65.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.421 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.09 -54.27 43.69 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.859 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.3 pt -68.57 -34.47 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.48 -48.3 70.31 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.834 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -107.18 -33.46 7.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -103.02 -7.48 21.37 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -170.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 5.4 tt -65.56 -64.07 0.95 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t 178.59 152.28 0.32 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -105.97 -17.15 14.43 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.494 -0.883 . . . . 0.0 110.949 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -101.95 99.64 9.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.059 0.933 . . . . 0.0 110.868 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.3 mm? -108.49 107.13 17.53 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -121.16 -72.63 0.68 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.822 0.82 . . . . 0.0 112.283 -173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.72 17.52 4.68 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.435 -172.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.454 ' HB ' ' OE2' ' A' ' 49' ' ' GLU . 2.6 pt -123.94 -169.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.427 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -101.55 -77.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.678 ' OE2' ' HA ' ' A' ' 81' ' ' THR . 8.1 mp0 56.32 -55.26 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 127.264 2.226 . . . . 0.0 116.706 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -50.15 -37.57 35.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -169.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -76.66 -49.69 15.53 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.807 0.813 . . . . 0.0 109.849 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.413 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 23.2 t -72.27 -40.58 65.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.709 -171.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 57' ' ' MET . 57.2 t -55.28 -42.19 65.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 123.145 0.578 . . . . 0.0 111.216 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.92 -43.45 88.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.35 -36.97 85.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.717 0.77 . . . . 0.0 109.747 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 4.2 t -63.03 -46.59 95.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.533 0 C-N-CA 124.535 1.134 . . . . 0.0 110.922 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 0.0 110.768 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.15 -60.35 2.69 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 p -61.93 -40.21 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.4 tp -52.09 -46.78 65.36 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.552 0.741 . . . . 0.0 110.556 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -42.26 20.78 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.826 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -61.55 -36.29 80.17 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.944 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.82 -46.18 89.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.841 0.353 . . . . 0.0 110.162 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.33 -99.24 1.09 Allowed Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.035 -1.078 . . . . 0.0 114.225 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.5 -71.61 0.42 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.17 0.51 . . . . 0.0 109.809 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.91 62.77 5.93 Favored Glycine 0 N--CA 1.415 -2.74 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.46 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -53.62 99.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.929 0.871 . . . . 0.0 111.442 173.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.684 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 48.3 t -62.71 129.08 38.91 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.35 -165.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -109.12 167.06 10.38 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.614 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 73' ' ' PHE . 22.4 p90 -54.55 -29.44 50.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.218 1.007 . . . . 0.0 111.73 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.26 -39.4 94.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.856 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.684 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 44.1 mt-10 -72.43 -33.01 66.78 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 70' ' ' PHE . 24.1 m-85 -53.91 -56.45 17.67 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.462 ' SD ' ' HB2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.45 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.52 -56.73 18.39 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.465 -177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -63.81 -45.28 90.32 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 73' ' ' PHE . 9.6 p -68.92 -43.21 82.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.12 67.97 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.816 -0.552 . . . . 0.0 111.98 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 26.0 ptt? -82.62 -24.02 34.03 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.305 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 33.9 m -77.85 -43.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.774 176.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.678 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 85.5 m -79.79 -44.47 20.57 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.545 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -109.23 -82.55 0.56 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.139 -0.624 . . . . 0.0 112.285 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.46 -168.04 0.06 Allowed 'General case' 0 C--O 1.258 1.547 0 C-N-CA 123.918 0.887 . . . . 0.0 112.483 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.3 m 66.17 -63.85 0.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.983 1.713 . . . . 0.0 114.87 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -132.98 -1.41 3.31 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 122.069 -0.394 . . . . 0.0 110.87 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 124.835 1.254 . . . . 0.0 113.479 -178.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 N--CA 1.426 -1.662 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 -168.53 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 19.1 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 120.562 0.22 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -73.84 -52.45 12.99 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.505 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.49 -41.29 98.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.016 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 37.7 tt0 -48.22 -57.9 5.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.423 1.489 . . . . 0.0 110.735 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -53.68 -45.75 70.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.908 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.64 -47.98 76.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.498 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.19 -45.85 92.9 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.619 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.55 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.05 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -60.46 -36.85 79.24 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' HG12 ' B' ' 13' ' ' VAL . 98.6 mt -65.31 -49.7 68.47 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.071 0.462 . . . . 0.0 111.311 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 pt -73.25 -34.06 43.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 33.6 t70 -70.66 -29.23 65.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.517 HG12 ' O ' ' B' ' 10' ' ' LEU . 7.3 p -66.42 -44.72 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.191 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.647 ' CG ' ' HG ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -90.85 18.56 6.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.435 1.112 . . . . 0.0 112.109 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 20.8 t60 -93.61 -39.96 10.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 168.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.83 -44.68 20.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.151 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.491 ' O ' ' HD1' ' B' ' 14' ' ' PHE . 81.6 m-85 -91.72 126.59 36.85 Favored 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 t -159.4 164.52 34.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' B' ' 23' ' ' ASP . . . -84.1 -167.05 41.76 Favored Glycine 0 CA--C 1.487 -1.683 0 CA-C-O 121.719 0.621 . . . . 0.0 113.712 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.448 ' HD3' ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -111.22 -34.82 6.05 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.82 -0.69 . . . . 0.0 111.271 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.81 -80.39 0.44 Allowed 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.74 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.77 59.69 Favored Glycine 0 CA--C 1.493 -1.312 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.53 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.525 ' CG ' ' HA3' ' B' ' 19' ' ' GLY . 17.3 p-10 -91.76 1.29 57.26 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.052 0.941 . . . . 0.0 109.414 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -91.65 -35.7 14.06 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -71.81 -55.53 7.41 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 54.2 mtpt -136.1 139.14 42.75 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.647 ' HG ' ' CG ' ' B' ' 14' ' ' PHE . 2.7 mm? -66.12 -26.07 67.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -163.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' B' ' 67' ' ' GLU . 71.2 mmtt 71.93 148.91 0.09 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.634 1.174 . . . . 0.0 111.291 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -62.98 -34.71 78.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -64.64 -29.85 70.86 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.014 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 35.1 mm-40 -86.14 -26.82 24.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.703 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.503 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -64.37 -22.78 67.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.32 -59.67 4.47 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 124.442 1.097 . . . . 0.0 109.404 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -54.66 -34.02 61.6 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.353 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -66.74 -55.64 14.09 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.253 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.0 pt -68.41 -33.58 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -66.9 -37.34 84.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.647 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.73 -37.84 3.07 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -97.22 -6.01 35.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 5.3 tt -67.11 -64.7 0.8 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t 177.16 152.97 0.22 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -104.44 -19.2 14.12 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.953 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -98.53 100.43 11.68 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 122.038 0.923 . . . . 0.0 110.936 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.442 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.2 mm? -109.32 105.08 14.32 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.06 -65.9 1.13 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -173.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.866 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.536 ' HB ' ' OE2' ' B' ' 49' ' ' GLU . 2.1 pt -117.23 -172.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -98.55 -78.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.664 ' OE2' ' HA ' ' B' ' 81' ' ' THR . 7.5 mp0 55.83 -53.88 0.02 OUTLIER 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 127.278 2.231 . . . . 0.0 116.348 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -47.82 -37.54 13.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.908 1.283 . . . . 0.0 113.755 -171.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.24 -49.68 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.563 0.697 . . . . 0.0 110.762 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.422 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 24.3 t -72.52 -40.61 63.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.487 -171.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' B' ' 57' ' ' MET . 78.2 t -55.73 -39.62 56.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 122.913 0.485 . . . . 0.0 111.055 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.91 -42.45 85.4 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.937 0.399 . . . . 0.0 110.705 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.6 -35.41 78.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.686 0.755 . . . . 0.0 109.563 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 4.0 t -63.86 -45.7 96.32 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 C-N-CA 124.616 1.166 . . . . 0.0 110.754 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.22 -36.05 82.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.945 0.402 . . . . 0.0 110.272 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.54 -58.46 7.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.4 p -63.24 -41.99 99.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.1 tp -52.58 -45.78 66.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.636 0.774 . . . . 0.0 110.4 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -80.25 -42.54 22.99 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.095 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.23 -38.99 93.34 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.721 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.73 -45.76 92.55 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.573 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.4 -114.69 4.35 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.273 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.71 -69.0 0.21 Allowed 'General case' 0 C--O 1.248 0.982 0 C-N-CA 123.349 0.659 . . . . 0.0 110.204 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.13 57.13 17.94 Favored Glycine 0 N--CA 1.422 -2.252 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.537 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 5.9 pt-20 -46.61 100.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.506 0.669 . . . . 0.0 110.825 174.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.642 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 45.3 t -66.0 127.43 32.05 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.334 -1.303 . . . . 0.0 113.881 -167.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -109.48 167.83 9.84 Favored 'General case' 0 CA--C 1.487 -1.468 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.312 173.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' B' ' 73' ' ' PHE . 25.5 p90 -53.35 -30.26 38.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.47 1.108 . . . . 0.0 112.335 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.39 -39.58 92.41 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.739 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.642 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 42.7 mt-10 -70.32 -33.42 71.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.092 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' B' ' 70' ' ' PHE . 25.4 m-85 -54.05 -56.74 15.14 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.45 ' SD ' ' HB2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.34 -44.07 97.8 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.453 -178.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.65 -57.29 13.64 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.355 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -62.46 -45.79 91.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.7 p -68.68 -43.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.93 67.41 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.831 -0.543 . . . . 0.0 112.014 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 26.5 ptt? -81.9 -26.32 34.22 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.334 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.422 ' HA ' ' HB ' ' B' ' 52' ' ' VAL . 33.9 m -76.25 -44.82 36.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 118.602 -1.239 . . . . 0.0 110.536 176.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.664 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . 90.2 m -78.31 -43.95 26.58 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.594 -176.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.6 m -110.69 -82.62 0.57 Allowed 'General case' 0 N--CA 1.436 -1.17 0 O-C-N 121.619 -0.676 . . . . 0.0 112.538 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.37 -168.0 0.06 Allowed 'General case' 0 C--O 1.256 1.442 0 C-N-CA 123.822 0.849 . . . . 0.0 112.527 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m 67.08 -70.38 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.263 1.425 . . . . 0.0 114.1 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -127.61 0.07 6.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.394 -0.191 . . . . 0.0 111.258 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.257 1.488 0 C-N-CA 124.691 1.197 . . . . 0.0 113.708 -179.18 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.82 0.343 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.69 -38.26 88.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.1 tm? -76.05 -38.55 57.02 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.241 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 50.0 tt0 -60.57 -36.87 79.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.757 0.789 . . . . 0.0 109.786 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.12 -53.01 51.9 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.668 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.01 92.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.678 -1.147 . . . . 0.0 113.056 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.418 ' HG3' HG22 ' B' ' 77' ' ' VAL . 14.9 tmm? -56.6 -45.73 81.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.2 -34.71 70.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.344 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.04 -52.71 58.15 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.416 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.555 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 4.5 mm? -51.66 -49.49 62.23 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.164 0.507 . . . . 0.0 111.701 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 pt -74.55 -48.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 13.9 t70 -72.71 -30.15 63.97 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.74 -41.51 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.49 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.77 -12.64 58.47 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.968 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.7 t60 -69.22 -42.01 76.27 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 169.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 74.3 mt-30 -70.43 -3.19 16.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.504 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CZ ' ' HA3' ' A' ' 19' ' ' GLY . 23.8 t80 -54.17 -58.42 7.43 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.489 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 p 40.61 77.52 0.05 Allowed 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.274 1.03 . . . . 0.0 113.077 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 17' ' ' TYR . . . -113.99 138.23 14.72 Favored Glycine 0 N--CA 1.424 -2.138 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.022 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -60.98 -23.22 65.2 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 123.24 0.616 . . . . 0.0 112.338 -179.14 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.94 -63.85 1.09 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.598 174.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.37 29.4 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.869 -0.605 . . . . 0.0 113.51 -174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.85 -16.05 63.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 122.007 -0.702 . . . . 0.0 111.737 -174.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -98.43 -1.11 42.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.777 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -126.74 -81.38 0.61 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.648 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HD3' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -151.04 149.33 29.42 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 100.811 -3.774 . . . . 0.0 100.811 176.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.47 -36.24 63.91 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 74.5 mmtt 64.04 116.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.984 1.314 . . . . 0.0 112.992 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 67' ' ' GLU 0.295 0.0 OUTLIER -68.14 -18.93 64.76 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.683 -0.636 . . . . 0.0 111.619 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.9 m -62.62 -23.53 67.11 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.215 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -85.47 -22.62 28.16 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.745 0.783 . . . . 0.0 109.815 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 3.3 tm? -63.24 -21.2 66.08 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.57 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -53.45 -52.04 60.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.855 0.836 . . . . 0.0 110.988 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.43 -22.85 65.5 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.285 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.27 -51.15 22.16 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 12.4 pt -65.25 -33.24 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.8 -30.27 71.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.368 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -99.67 -62.42 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 24.4 mm-40 -80.52 -32.92 36.73 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -172.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.758 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -74.3 -61.28 1.91 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 -173.014 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 p -90.16 92.4 8.94 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -165.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.48 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 31.7 m80 -126.44 -71.46 0.69 Allowed 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.36 -11.63 27.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.7 mm? -81.33 110.73 17.05 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -114.95 -73.69 0.64 Allowed 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -135.49 73.31 1.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -107.14 -49.84 8.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -150.77 -32.06 0.17 Allowed 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.08 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' OE1' ' HB3' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -58.07 -29.83 65.72 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.518 ' OE1' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -59.76 -27.02 66.15 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HG3' ' OE1' ' A' ' 50' ' ' GLN . 43.0 mt-10 -81.41 -59.01 2.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.641 1.21 . . . . 0.0 109.49 170.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 3.3 t -72.02 -25.36 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.852 -165.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 56' ' ' VAL . 55.3 t -57.59 -42.85 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 119.122 0.873 . . . . 0.0 111.743 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.66 -40.97 92.99 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.805 0.812 . . . . 0.0 109.81 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -71.42 -30.73 66.42 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.699 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.1 p -70.76 -34.59 57.04 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.0 mmt -66.58 -29.63 69.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.244 0.545 . . . . 0.0 109.965 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.7 -61.51 1.85 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.874 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 p -58.15 -40.88 82.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 15.8 tp -54.87 -48.34 73.09 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.073 0.949 . . . . 0.0 110.461 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.7 -33.08 21.61 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.638 -176.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.42 -42.05 92.93 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.8 -39.8 95.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.06 -103.91 0.94 Allowed Glycine 0 C--O 1.242 0.625 0 CA-C-N 114.79 -1.095 . . . . 0.0 115.081 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -86.19 106.38 17.25 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-O 121.083 0.468 . . . . 0.0 110.447 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.29 27.78 0.13 Allowed Glycine 0 C--N 1.297 -1.638 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.603 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 2.3 mp0 56.72 -179.2 0.05 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.288 1.035 . . . . 0.0 113.276 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 43.7 t -134.09 101.95 5.22 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.152 170.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 167.53 9.87 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.669 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' B' ' 84' ' ' CYS . 4.4 p90 -57.71 -26.55 61.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.754 0.822 . . . . 0.0 111.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.84 -40.8 95.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -78.79 -32.57 46.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.477 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -52.84 -54.28 36.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.655 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.6 OUTLIER -62.15 -47.03 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.495 0.497 . . . . 0.0 111.154 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.58 29.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -62.65 -47.19 84.81 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.758 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.5 p -68.41 -41.06 83.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.024 0.44 . . . . 0.0 112.169 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.75 47.85 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.974 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -78.33 -23.09 47.19 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 118.292 -1.363 . . . . 0.0 111.771 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 40' ' ' LEU . 27.0 m -75.31 -51.62 20.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.149 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.477 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.5 m -83.73 -39.48 20.05 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.596 HG22 ' SG ' ' A' ' 84' ' ' CYS . 11.9 m -98.71 -49.79 4.47 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.638 -0.664 . . . . 0.0 111.414 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.07 86.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.022 1.329 . . . . 0.0 113.369 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.596 ' SG ' HG22 ' A' ' 82' ' ' THR . 58.7 m -144.43 154.33 42.84 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -112.0 0.24 15.94 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 167.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.607 ' OE1' ' HE3' ' B' ' 26' ' ' LYS . 31.0 tt0 . . . . . 0 CA--C 1.502 -0.904 0 C-N-CA 128.258 2.623 . . . . 0.0 107.491 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.436 ' HB3' HG23 ' A' ' 82' ' ' THR . 35.8 t-80 . . . . . 0 N--CA 1.436 -1.163 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 N--CA 1.434 -1.265 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 -170.276 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.418 ' H2 ' ' CD ' ' A' ' 39' ' ' GLU . 19.5 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -39.01 66.65 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.1 tm? -74.45 -39.66 62.41 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.031 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.48 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 46.7 tt0 -57.69 -42.73 84.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.412 0.625 . . . . 0.0 109.396 177.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.15 -50.06 74.71 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.037 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.42 94.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.42 ' HG3' HG22 ' A' ' 77' ' ' VAL . 14.8 tmm? -57.54 -45.57 84.9 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.132 0.491 . . . . 0.0 110.01 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -36.22 75.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.047 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -52.9 61.25 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.477 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.655 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 4.5 mm? -51.91 -50.34 61.26 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.002 0.43 . . . . 0.0 111.812 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.404 HD12 ' CE1' ' A' ' 90' ' ' HIS . 36.4 pt -73.97 -46.48 45.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 26.9 t70 -71.95 -31.74 66.61 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.98 -41.12 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.647 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -15.51 55.09 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 117.429 -1.709 . . . . 0.0 110.84 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 10.5 t60 -66.54 -40.18 88.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 75.9 mt-30 -72.23 -7.16 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.228 176.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' B' ' 19' ' ' GLY . 23.7 t80 -51.12 -60.89 2.62 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 117.858 0.299 . . . . 0.0 110.502 175.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.5 p 45.71 72.45 0.22 Allowed 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.99 0.916 . . . . 0.0 112.643 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' B' ' 17' ' ' TYR . . . -105.69 141.09 15.33 Favored Glycine 0 N--CA 1.421 -2.346 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.929 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -63.55 -24.09 67.66 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.705 0.297 . . . . 0.0 111.572 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -96.01 -65.48 0.97 Allowed 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.448 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.63 -54.49 36.67 Favored Glycine 0 C--O 1.21 -1.355 0 O-C-N 123.539 0.524 . . . . 0.0 113.893 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' B' ' 19' ' ' GLY . 15.7 t70 -64.13 -22.26 66.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 122.102 -0.646 . . . . 0.0 111.578 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -96.15 2.02 52.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.83 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -129.55 -83.69 0.56 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.429 0.633 . . . . 0.0 110.462 177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.607 ' HE3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -150.01 147.84 28.33 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 177.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.408 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 4.5 mm? -53.18 -36.33 60.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -173.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 74.1 mmtt 61.65 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.937 1.295 . . . . 0.0 112.897 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HD2' ' O ' ' B' ' 67' ' ' GLU 0.291 0.0 OUTLIER -64.29 -19.27 65.3 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.665 -0.647 . . . . 0.0 112.48 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -62.69 -23.74 67.29 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 121.979 -0.451 . . . . 0.0 110.311 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.27 -22.19 28.7 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.591 0.71 . . . . 0.0 109.681 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.3 tm? -62.04 -20.89 64.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.111 0.964 . . . . 0.0 108.746 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -53.22 -51.84 60.84 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.132 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.29 -26.24 67.98 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.034 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.72 -52.58 24.22 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.46 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 13.1 pt -65.21 -34.05 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -56.58 -36.53 69.47 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.054 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -95.85 -70.38 0.72 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 32.0 mm-40 -71.02 -37.18 72.62 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -170.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.732 ' HG ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.1 -60.91 1.97 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.703 0.763 . . . . 0.0 110.989 -171.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -92.45 91.82 7.8 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.424 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 35.8 m80 -124.96 -69.15 0.81 Allowed 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -95.93 -12.42 25.11 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.7 mm? -81.31 112.71 18.86 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 171.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.54 -73.28 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -171.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -135.57 80.68 1.85 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.9 mt -114.36 -52.8 4.98 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -149.66 -30.03 0.24 Allowed 'General case' 0 C--O 1.245 0.821 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.019 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HB2' HG23 ' B' ' 53' ' ' VAL . 0.8 OUTLIER -60.07 -29.77 68.78 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.061 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . 0.252 0.0 OUTLIER -61.4 -27.0 68.22 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.914 -0.714 . . . . 0.0 112.438 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.77 -55.93 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.289 1.042 . . . . 0.0 109.64 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 3.3 t -73.59 -25.12 20.55 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -166.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.64 ' O ' HG12 ' B' ' 56' ' ' VAL . 54.7 t -57.51 -42.7 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 119.057 0.844 . . . . 0.0 112.088 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.8 -35.44 78.65 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -74.34 -30.46 62.04 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.549 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 53' ' ' VAL . 2.6 p -69.43 -34.57 62.82 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.866 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -67.83 -29.9 69.17 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.256 0.55 . . . . 0.0 109.945 178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.94 -61.32 1.85 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.184 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -58.39 -41.33 84.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 15.3 tp -55.19 -42.77 73.67 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 124.213 1.005 . . . . 0.0 110.708 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -89.0 -36.38 15.86 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.731 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.58 -40.88 96.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.249 0.62 . . . . 0.0 110.713 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.1 -43.53 91.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 -106.68 1.9 Allowed Glycine 0 CA--C 1.505 -0.547 0 CA-C-N 114.936 -1.029 . . . . 0.0 114.785 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.91 105.14 17.24 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.437 0.637 . . . . 0.0 110.508 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.59 29.04 0.2 Allowed Glycine 0 C--N 1.296 -1.669 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.619 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 2.1 mp0 56.81 177.78 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.723 1.209 . . . . 0.0 113.62 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.573 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 47.3 t -132.28 101.6 5.43 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.038 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -109.44 168.0 9.72 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -57.29 -26.78 61.4 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.693 0.797 . . . . 0.0 112.147 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -64.83 -40.66 95.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.75 -32.95 46.87 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.443 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.648 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.7 -54.68 30.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.455 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.555 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.26 -47.43 86.07 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.556 0.535 . . . . 0.0 111.289 176.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.25 -54.43 43.55 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -63.76 -47.34 81.39 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.732 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.6 p -68.15 -41.06 83.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.15 47.99 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.076 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -77.64 -23.41 49.74 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 117.875 -1.53 . . . . 0.0 111.583 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.458 HG21 HD11 ' B' ' 40' ' ' LEU . 32.3 m -75.45 -51.58 20.62 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.488 0 C-N-CA 118.641 -1.224 . . . . 0.0 111.638 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.25 -37.59 21.56 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.613 HG22 ' SG ' ' B' ' 84' ' ' CYS . 10.8 m -99.33 -50.99 3.93 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.653 -0.654 . . . . 0.0 111.356 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.65 88.78 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.904 1.282 . . . . 0.0 113.342 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.613 ' SG ' HG22 ' B' ' 82' ' ' THR . 57.2 m -148.3 152.54 37.27 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.129 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -110.46 -1.84 16.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 166.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.556 ' OE1' ' HE3' ' A' ' 26' ' ' LYS . 30.3 tt0 . . . . . 0 CA--C 1.509 -0.621 0 C-N-CA 128.284 2.634 . . . . 0.0 107.551 171.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.425 ' HB3' ' OE2' ' B' ' 39' ' ' GLU . 4.7 m . . . . . 0 N--CA 1.438 -1.06 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 2.5 tp10 -68.66 -37.25 79.49 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.158 0.504 . . . . 0.0 110.13 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 3' ' ' LEU . 2.3 tm? -73.51 -34.62 65.36 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.128 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 8' ' ' VAL . 54.4 mt-10 -56.32 -40.27 74.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.888 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 46.1 pttt -71.61 -25.16 62.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.944 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.75 85.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.476 ' HE1' HG21 ' B' ' 81' ' ' THR . 10.6 tmm? -65.18 -40.2 93.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.649 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' GLU . 95.8 t -60.36 -43.87 94.74 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.672 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.058 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.81 77.58 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.971 0.508 . . . . 0.0 111.642 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.523 HD13 ' SD ' ' B' ' 74' ' ' MET . 34.3 mt -60.22 -42.74 95.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.411 0.684 . . . . 0.0 111.212 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.4 pt -82.37 -24.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 120.625 -1.297 . . . . 0.0 112.074 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.563 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 11.2 t70 -79.67 -50.88 9.97 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.58 -35.77 65.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.856 0.36 . . . . 0.0 110.089 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -62.62 -46.53 87.83 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.551 175.137 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 12' ' ' ASP . 2.0 p-80 -65.02 -27.41 68.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 119.621 -0.832 . . . . 0.0 113.065 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.2 mt-30 -65.91 -43.33 88.46 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.032 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.65 -26.22 15.28 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -72.52 151.5 42.43 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -72.7 93.12 0.63 Allowed Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -54.33 -35.5 62.76 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 37.5 tt0 -95.2 -75.95 0.51 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -35.32 74.78 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.563 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' HA3' ' A' ' 19' ' ' GLY . 5.5 m-20 -91.74 14.17 16.08 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.976 0.417 . . . . 0.0 112.064 -173.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 60.99 27.29 17.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.573 0.749 . . . . 0.0 112.666 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 72.67 14.19 5.12 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.568 0.747 . . . . 0.0 111.193 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.83 154.73 24.68 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 120.895 -1.128 . . . . 0.0 111.037 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -71.64 -39.12 70.58 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -166.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HE3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 72.6 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.365 1.066 . . . . 0.0 109.705 -169.61 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.1 mtpt -68.94 -30.39 68.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.935 -174.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -63.84 -32.36 73.85 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.029 0.443 . . . . 0.0 110.085 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.43 -18.62 33.09 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.46 -24.54 67.5 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.831 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB2' HD23 ' A' ' 60' ' ' LEU . 4.6 tmmm? -55.68 -54.32 45.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.939 175.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 -33.14 75.32 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.048 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HG ' HD13 ' A' ' 40' ' ' LEU . 33.9 tp -69.99 -42.67 72.78 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.322 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 10.1 pt -65.05 -42.32 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -62.19 -22.82 66.21 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.066 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -99.39 -68.72 0.79 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -101.37 -21.13 14.91 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -165.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.2 mp -99.87 -22.78 15.17 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.336 -175.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.7 m -143.49 89.85 2.11 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.397 0.617 . . . . 0.0 110.48 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -115.0 -39.4 3.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.404 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -90.17 -3.52 57.82 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.06 92.37 5.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.747 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.05 -18.95 15.37 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.063 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 11.6 pt-20 -147.88 -153.02 0.47 Allowed 'General case' 0 N--CA 1.416 -2.151 0 C-N-CA 124.074 0.949 . . . . 0.0 108.914 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.438 HG22 ' HG2' ' A' ' 48' ' ' LYS . 67.3 mt 92.36 -87.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.45 1.5 . . . . 0.0 111.603 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 82' ' ' THR . 29.8 mmmt -137.5 6.35 2.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.471 0.653 . . . . 0.0 111.674 -176.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -62.18 -47.67 83.46 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -173.288 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -59.46 -32.13 69.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.306 0.503 . . . . 0.0 111.963 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.62 -56.26 4.12 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.657 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.02 -45.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 57' ' ' MET . 79.3 t -57.25 -40.5 74.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 C-N-CA 122.46 0.304 . . . . 0.0 111.593 -176.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.92 -41.31 87.29 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.017 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.41 -34.59 78.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.796 0.808 . . . . 0.0 110.03 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.02 -46.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 124.348 1.059 . . . . 0.0 110.368 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.8 mmt -67.03 -27.56 67.51 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.557 0.694 . . . . 0.0 110.374 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.25 -59.4 3.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.944 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 14.0 p -64.01 -40.75 97.03 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 6.8 mp -56.6 -29.92 62.66 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -101.08 -46.32 5.11 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.255 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.35 -51.82 22.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.153 -176.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' A' ' 59' ' ' THR . 15.5 t70 -73.12 -64.19 1.02 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.43 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.08 -49.57 2.57 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 113.022 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 69.1 -50.66 0.6 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.614 2.366 . . . . 0.0 112.564 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.98 -24.99 5.61 Favored Glycine 0 C--N 1.299 -1.501 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.68 -178.62 6.55 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.574 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 12.1 t -143.45 135.11 26.39 Favored 'General case' 0 CA--C 1.481 -1.709 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 173.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -108.7 167.74 9.84 Favored 'General case' 0 C--N 1.282 -2.357 0 O-C-N 124.001 0.813 . . . . 0.0 109.517 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.433 ' CE1' ' HB1' ' B' ' 78' ' ' ALA . 12.9 p90 -64.87 -24.03 67.41 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.147 0.499 . . . . 0.0 110.243 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.05 -38.75 92.19 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.685 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 52.4 mt-10 -79.28 -31.79 43.43 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -53.7 -46.66 70.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 175.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.497 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.79 -53.94 33.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.457 174.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -50.79 -51.68 48.35 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 123.923 0.764 . . . . 0.0 112.972 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.485 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 71.0 m-85 -66.93 -44.86 79.58 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.459 ' HB ' HD23 ' A' ' 40' ' ' LEU . 10.9 p -70.06 -33.15 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.015 0.436 . . . . 0.0 111.102 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' B' ' 70' ' ' PHE . . . -75.22 -32.0 61.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.458 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 83' ' ' ALA 0.256 25.6 ptt? -84.79 -30.0 24.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.345 -1.342 . . . . 0.0 113.23 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.5 m -71.06 -39.22 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.421 HG21 ' HE1' ' B' ' 7' ' ' MET . 13.6 m -85.24 -25.13 27.48 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.069 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 61.9 m -136.78 -101.17 0.2 Allowed 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 121.705 -0.622 . . . . 0.0 112.462 -177.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 79' ' ' MET . . . 51.61 176.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.93 0.892 . . . . 0.0 112.675 -174.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.6 m 64.84 -50.9 0.33 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.811 1.645 . . . . 0.0 115.101 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -129.64 72.93 1.49 Allowed 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.597 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 N--CA 1.422 -1.825 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OXT' ' HB3' ' B' ' 15' ' ' HIS . 10.5 pt-20 . . . . . 0 C--O 1.259 1.582 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.243 0.718 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.3 tp10 -74.61 -35.39 62.94 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.318 0.58 . . . . 0.0 109.929 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.441 ' O ' HD13 ' B' ' 3' ' ' LEU . 2.4 tm? -75.36 -33.95 61.12 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.481 ' O ' HG23 ' B' ' 8' ' ' VAL . 52.7 mt-10 -56.64 -40.26 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 46.7 pttt -71.7 -25.72 62.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.757 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.89 87.73 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.421 ' HE1' HG21 ' A' ' 81' ' ' THR . 10.2 tmm? -65.18 -39.92 93.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.596 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 4' ' ' GLU . 95.8 t -61.23 -42.73 94.56 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.736 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.084 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.67 82.04 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.842 0.457 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.497 HD13 ' SD ' ' A' ' 74' ' ' MET . 35.1 mt -60.57 -43.41 97.34 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.489 0.716 . . . . 0.0 110.865 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 pt -81.15 -24.43 10.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 O-C-N 120.608 -1.308 . . . . 0.0 111.877 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 25.6 t70 -77.27 -52.28 9.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.87 -35.68 66.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-O 120.959 0.409 . . . . 0.0 110.276 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -62.56 -48.52 79.13 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.813 175.059 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.639 ' CE1' ' HA ' ' B' ' 12' ' ' ASP . 2.2 p-80 -63.6 -29.0 70.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.983 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 78.2 mt-30 -62.34 -51.05 69.15 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.662 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -89.9 -30.3 17.96 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.985 -169.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 46.5 m -67.58 151.06 47.96 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.2 92.22 0.48 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -57.03 -33.06 66.82 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.244 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' B' ' 20' ' ' ARG . 43.9 tt0 -95.14 -77.56 0.47 Allowed 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.22 76.85 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 121.191 -0.528 . . . . 0.0 114.397 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.78 15.84 9.05 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 59.44 27.41 16.54 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.4 ' HE2' ' HB3' ' B' ' 15' ' ' HIS . 3.5 t60 73.1 10.97 5.19 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.869 0.868 . . . . 0.0 111.499 173.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -109.2 156.18 20.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.018 -1.051 . . . . 0.0 111.433 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -72.62 -40.28 66.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -167.511 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HE3' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER 72.92 131.65 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.608 1.163 . . . . 0.0 109.876 -169.684 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.605 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 49.2 mtpt -65.56 -28.88 69.47 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.193 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.9 t -66.41 -34.33 77.71 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 121.318 0.58 . . . . 0.0 110.695 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.13 -18.7 41.95 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.606 -0.684 . . . . 0.0 110.579 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.4 tm? -63.77 -24.96 67.97 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.219 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.467 ' HB2' HD23 ' B' ' 60' ' ' LEU . 3.9 tmmm? -56.25 -52.71 63.46 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.964 0.887 . . . . 0.0 111.379 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.84 -34.42 77.77 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.317 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' B' ' 40' ' ' LEU . 32.4 tp -67.78 -42.1 82.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.447 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 10.3 pt -66.22 -43.01 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -63.25 -21.38 66.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.39 0.614 . . . . 0.0 111.877 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -99.73 -69.36 0.77 Allowed 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.425 ' OE2' ' HB3' ' A' ' 1' ' ' SER . 16.8 tp10 -101.15 -24.14 14.33 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -166.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.3 mp -97.67 -21.72 16.86 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.416 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.7 m -144.47 90.42 2.09 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.455 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -113.97 -40.45 3.73 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -88.65 -4.5 58.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.057 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.6 92.17 5.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.772 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.47 -11.78 16.87 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.228 0.537 . . . . 0.0 110.324 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 12.6 pt-20 -150.61 -153.52 0.49 Allowed 'General case' 0 N--CA 1.42 -1.963 0 C-N-CA 124.407 1.083 . . . . 0.0 108.409 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.445 HG22 ' HG2' ' B' ' 48' ' ' LYS . 75.3 mt 87.18 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.177 1.391 . . . . 0.0 111.279 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' B' ' 82' ' ' THR . 29.8 mmmt -137.34 4.98 2.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 46' ' ' GLU 0.254 0.0 OUTLIER -62.77 -47.17 84.67 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.315 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -56.17 -34.26 66.02 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.275 0.489 . . . . 0.0 112.232 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -81.74 -57.37 3.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.55 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.01 -45.98 79.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.3 t -56.11 -40.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.04 -43.11 88.5 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.602 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -63.33 -35.73 81.35 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.794 0.807 . . . . 0.0 109.713 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.73 -47.31 86.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.417 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -66.03 -28.6 68.98 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.431 0.634 . . . . 0.0 110.257 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.04 -57.06 6.74 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.475 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' B' ' 63' ' ' ASP . 13.7 p -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 6.6 mp -56.03 -31.77 63.43 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -95.72 -50.58 4.87 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.288 0.566 . . . . 0.0 112.14 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.24 -48.68 40.96 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.046 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 59' ' ' THR . 32.4 t70 -76.17 -62.08 1.73 Allowed 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.37 -52.25 1.82 Allowed Glycine 0 CA--C 1.525 0.657 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.585 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 69.44 -46.99 0.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.953 2.501 . . . . 0.0 112.569 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.79 -14.08 10.62 Favored Glycine 0 C--N 1.299 -1.499 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 12.1 pt-20 -157.39 -179.03 7.8 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.573 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.0 t -145.84 133.13 20.57 Favored 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 172.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -106.5 166.41 10.57 Favored 'General case' 0 C--N 1.283 -2.292 0 O-C-N 124.155 0.909 . . . . 0.0 109.63 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 78' ' ' ALA . 13.0 p90 -63.82 -24.07 67.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.246 0.546 . . . . 0.0 110.499 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.877 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.573 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 49.7 mt-10 -78.43 -31.24 48.05 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -54.39 -46.6 73.11 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.59 -53.79 36.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.342 174.686 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -49.9 -54.24 20.9 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.964 0.79 . . . . 0.0 112.773 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 74.1 m-85 -65.7 -42.83 90.69 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.445 ' HB ' HD23 ' B' ' 40' ' ' LEU . 10.5 p -71.97 -32.71 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 120.998 0.428 . . . . 0.0 110.935 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 70' ' ' PHE . . . -74.87 -33.92 62.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.317 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 75' ' ' ALA 0.267 25.5 ptt? -82.9 -31.34 27.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.542 -1.263 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.83 -39.33 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.541 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.476 HG21 ' HE1' ' A' ' 7' ' ' MET . 11.0 m -85.23 -24.21 27.92 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.99 -177.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 60.1 m -138.3 -102.06 0.18 Allowed 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 121.555 -0.716 . . . . 0.0 112.716 -176.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' B' ' 79' ' ' MET . . . 51.58 173.94 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.05 0.94 . . . . 0.0 112.919 -173.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.1 m 66.6 -52.81 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.215 1.406 . . . . 0.0 114.694 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -127.71 70.41 1.33 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.303 -1.455 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.893 -175.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 120.532 0.206 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.27 -33.52 73.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.388 0.675 . . . . 0.0 110.325 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.464 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 3.1 tm? -69.86 -32.58 71.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.86 -52.22 66.0 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.262 0.351 . . . . 0.0 111.188 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.411 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.598 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -82.1 -63.38 1.39 Allowed 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -58.92 -41.11 86.5 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.507 0.504 . . . . 0.0 110.944 -171.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.51 -38.99 82.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.78 94.04 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.6 mp -64.58 -51.5 62.44 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.958 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -71.02 -31.73 46.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-O 121.143 0.496 . . . . 0.0 112.0 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.0 -22.42 31.37 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 10' ' ' LEU . 8.6 p -65.97 -33.16 61.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.61 177.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 69' ' ' ASP . 63.1 m-85 -66.22 -29.35 69.59 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-O 121.46 0.647 . . . . 0.0 110.598 173.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -76.37 -48.52 19.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.164 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.85 -44.93 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.716 0.806 . . . . 0.0 110.514 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -84.98 80.23 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.021 0.915 . . . . 0.0 108.896 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -75.64 104.82 6.37 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.5 162.49 47.55 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.945 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -32.77 72.25 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.907 0.86 . . . . 0.0 108.771 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 65.4 tt0 -115.91 -19.74 10.28 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.145 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -59.71 -51.9 56.25 Favored Glycine 0 CA--C 1.499 -0.915 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 173.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.9 81.28 8.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.8 tmtt? -176.57 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 125.601 1.56 . . . . 0.0 106.844 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -176.32 79.45 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 10.5 mmpt? 63.5 174.75 0.16 Allowed 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.881 1.272 . . . . 0.0 113.453 176.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -110.57 138.43 46.97 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.011 -0.431 . . . . 0.0 112.115 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.78 150.62 1.4 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.602 1.161 . . . . 0.0 111.979 172.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 82.2 mttt -68.27 -30.19 69.15 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.882 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.6 m -62.89 -30.57 71.63 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.19 -30.81 58.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.29 -29.15 70.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.295 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.9 tmmt? -56.75 -50.44 72.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.998 0.904 . . . . 0.0 111.476 176.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.33 -22.81 61.87 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -75.02 -47.33 29.57 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 HD12 ' A' ' 40' ' ' LEU . 14.8 pt -63.99 -32.18 56.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 CA-C-O 121.947 0.88 . . . . 0.0 111.979 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.11 -41.46 79.0 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.599 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -93.45 -61.69 1.51 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.215 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' B' ' 3' ' ' LEU . 10.1 tp10 -106.24 73.46 0.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.957 0.884 . . . . 0.0 110.879 -172.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 77' ' ' VAL . 5.1 tt -175.42 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.1 m -58.95 96.28 0.03 OUTLIER 'General case' 0 C--O 1.242 0.693 0 O-C-N 124.709 1.256 . . . . 0.0 109.644 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -159.44 119.39 3.03 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 60.52 53.52 4.12 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.6 mt -81.36 85.02 6.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -94.32 -52.79 4.19 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.37 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.73 -47.72 81.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.517 -1.22 . . . . 0.0 111.23 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.448 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 47.5 mm 66.12 71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.375 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -144.79 10.77 1.38 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.482 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.577 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -89.3 -15.26 33.88 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.555 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -48.57 -29.97 4.82 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.631 1.572 . . . . 0.0 111.69 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.45 -58.8 3.03 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 HG12 ' A' ' 80' ' ' VAL . 47.1 t -72.02 -31.61 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.175 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 56' ' ' VAL . 75.4 t -68.23 -39.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 122.036 -0.415 . . . . 0.0 111.379 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.63 -37.5 84.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.148 0.975 . . . . 0.0 108.888 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -27.11 61.5 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.537 -1.211 . . . . 0.0 112.59 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.3 p -70.4 -36.57 67.23 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -67.84 -40.24 83.74 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.54 -58.47 8.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.31 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -64.85 -42.79 94.6 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 18.3 tp -53.29 -46.17 69.22 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.922 0.764 . . . . 0.0 110.87 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.05 -41.86 21.97 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.578 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.52 -43.12 93.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.767 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.46 -77.42 0.15 Allowed 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.978 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.05 32.9 5.03 Favored Glycine 0 N--CA 1.475 1.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 114.285 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.01 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.63 64.61 0.54 Allowed Glycine 0 CA--C 1.465 -3.089 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 63.17 178.73 0.15 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 126.096 1.758 . . . . 0.0 110.457 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 13.9 p -148.64 156.04 41.86 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.412 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 15.9 t70 -160.43 -144.31 0.11 Allowed 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' B' ' 78' ' ' ALA . 48.1 p90 -40.57 -50.2 2.97 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.582 1.953 . . . . 0.0 115.596 -172.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -54.48 39.3 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.675 0.75 . . . . 0.0 110.669 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.37 -33.1 61.02 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.477 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.585 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.4 t80 -54.63 -56.88 14.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.517 ' SD ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -58.1 -40.59 81.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.577 -178.381 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.2 69.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.456 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -64.95 -48.2 74.9 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.609 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.3 p -65.89 -50.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -22.96 65.1 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.439 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.657 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 24.4 ptt? -80.38 -38.12 30.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.379 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG12 HG12 ' A' ' 52' ' ' VAL . 33.0 m -73.88 -34.56 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.242 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -84.58 -43.67 14.25 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -110.78 -49.56 3.03 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 79' ' ' MET . . . -65.05 -7.52 12.38 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 49' ' ' GLU . 85.3 m -61.33 -22.25 64.74 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.587 0.708 . . . . 0.0 109.879 172.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.0 27.92 3.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.223 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 125.282 1.433 . . . . 0.0 112.802 -178.466 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 . . . . . 0 N--CA 1.427 -1.617 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 . . . . . 0 C--O 1.256 1.402 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.534 -174.245 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 109.52 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 3.1 tm? -70.83 -34.83 72.1 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.781 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.83 -46.69 87.09 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -69.62 -29.6 67.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.113 0.483 . . . . 0.0 110.189 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.602 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -81.97 -63.65 1.34 Allowed 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -58.3 -40.61 82.45 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.421 0.451 . . . . 0.0 111.032 -171.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -66.97 -39.9 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.667 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.61 90.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.602 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.6 mp -66.8 -52.01 49.02 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.96 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 45.0 pt -70.51 -31.77 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.147 0.498 . . . . 0.0 111.893 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.66 -22.7 32.06 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.531 HG12 ' O ' ' B' ' 10' ' ' LEU . 10.0 p -66.26 -33.1 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.603 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -65.93 -29.52 69.95 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.502 0.668 . . . . 0.0 110.626 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -76.43 -48.96 17.94 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.658 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -52.24 -43.11 64.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.444 1.097 . . . . 0.0 111.256 176.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -89.78 79.99 6.61 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.0 m -72.52 124.53 25.41 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.837 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.25 163.76 21.13 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.143 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -73.34 -28.77 62.24 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 122.139 0.971 . . . . 0.0 108.881 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' B' ' 24' ' ' LYS . 38.7 tt0 -117.7 -21.78 8.33 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.11 -1.404 . . . . 0.0 108.271 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 26' ' ' LYS . . . -59.02 -48.85 83.91 Favored Glycine 0 C--N 1.343 0.922 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 172.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.04 79.63 9.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' B' ' 21' ' ' GLU . 13.5 tmtt? -174.62 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -175.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -174.37 78.02 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.321 173.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 10.7 mmpt? 64.0 174.89 0.18 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 125.142 1.377 . . . . 0.0 113.233 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.8 134.47 52.0 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -173.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -45.95 148.61 0.78 Allowed 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 125.171 1.389 . . . . 0.0 112.059 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 83.8 mttt -67.04 -29.65 69.51 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.344 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.3 m -63.62 -28.53 69.98 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.429 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.24 -31.73 49.35 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.421 0.629 . . . . 0.0 109.706 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -29.33 70.08 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.048 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -57.36 -48.2 79.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.842 0.857 . . . . 0.0 111.756 175.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.48 -25.56 60.51 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.285 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.29 -47.86 46.76 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.699 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.543 HG22 HD12 ' B' ' 40' ' ' LEU . 16.3 pt -63.62 -32.99 58.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 121.903 0.859 . . . . 0.0 112.048 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.04 -38.25 72.94 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.063 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -97.49 -63.58 1.12 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.361 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 3' ' ' LEU . 10.8 tp10 -103.12 73.16 1.21 Allowed 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.972 0.892 . . . . 0.0 110.257 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HG23 ' B' ' 77' ' ' VAL . 5.3 tt -177.61 -52.1 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -60.25 95.29 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.668 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -159.69 116.96 2.63 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.07 -174.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 61.62 51.8 3.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.81 86.65 5.96 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.29 -46.6 5.22 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.223 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.71 -40.15 94.02 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.035 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.441 ' HA ' ' OE1' ' B' ' 49' ' ' GLU . 44.3 mm 57.87 70.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-O 122.742 1.258 . . . . 0.0 111.582 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -146.55 10.94 1.11 Allowed 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 113.53 -1.668 . . . . 0.0 108.524 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -88.88 -17.68 29.13 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 113.787 -1.552 . . . . 0.0 107.386 -179.343 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -45.35 -35.95 3.88 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.674 1.59 . . . . 0.0 111.636 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -74.78 -56.14 5.1 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.184 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.496 HG12 HG12 ' B' ' 80' ' ' VAL . 53.7 t -73.1 -32.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.039 -173.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.656 ' O ' HG12 ' B' ' 56' ' ' VAL . 72.0 t -67.79 -39.86 82.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 122.778 0.431 . . . . 0.0 111.26 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.35 -36.41 82.81 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.288 1.042 . . . . 0.0 108.771 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -75.36 -25.26 57.58 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.522 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.656 HG12 ' O ' ' B' ' 53' ' ' VAL . 1.1 p -72.11 -36.18 55.8 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.898 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -67.14 -40.33 86.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -61.0 2.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.236 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.3 p -61.77 -42.84 99.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 19.2 tp -52.52 -47.96 66.32 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 124.002 0.814 . . . . 0.0 110.976 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.8 -43.22 22.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.541 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.72 -39.39 84.5 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.16 -77.62 0.19 Allowed 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.98 37.46 5.51 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 123.375 0.422 . . . . 0.0 113.951 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.05 -72.91 0.07 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.09 65.35 0.4 Allowed Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 64.36 178.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.92 1.688 . . . . 0.0 110.462 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 15.2 p -149.04 156.23 41.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.41 ' OD2' ' HD1' ' B' ' 70' ' ' PHE . 13.0 t70 -158.06 -145.97 0.15 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.41 ' HD1' ' OD2' ' B' ' 69' ' ' ASP . 54.5 p90 -40.6 -47.55 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -62.69 -58.36 7.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.585 0.707 . . . . 0.0 110.118 -174.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.55 -32.32 65.98 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.268 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.615 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.9 t80 -55.18 -56.91 14.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.501 ' SD ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -57.99 -42.12 84.46 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.143 0.902 . . . . 0.0 111.299 -178.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -51.99 66.1 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.407 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -63.82 -48.92 74.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.239 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.616 HG23 ' HG ' ' B' ' 40' ' ' LEU . 6.9 p -64.79 -51.8 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . . . -68.38 -22.62 64.63 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.567 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.687 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 24.5 ptt? -80.18 -37.68 32.8 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 118.344 -1.342 . . . . 0.0 111.201 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.496 HG12 HG12 ' B' ' 52' ' ' VAL . 31.8 m -73.78 -34.3 40.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.292 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 -47.15 10.98 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.922 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -108.18 -47.24 3.58 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -172.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' B' ' 79' ' ' MET . . . -67.13 -3.72 8.27 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -173.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' B' ' 49' ' ' GLU . 77.8 m -67.92 -14.49 63.0 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.694 0.759 . . . . 0.0 109.584 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -140.59 28.47 1.99 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.491 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 114.281 -1.327 . . . . 0.0 113.674 -178.5 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 33.9 m . . . . . 0 C--O 1.243 0.717 0 CA-C-O 121.541 0.686 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 7.2 tp10 -82.7 -38.66 23.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.45 HD11 ' CE1' ' B' ' 73' ' ' PHE . 3.9 mm? -66.8 -27.7 67.78 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.25 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.54 ' HB3' ' O ' ' A' ' 1' ' ' SER . 39.2 tt0 -55.03 -60.21 3.68 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.432 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 16.2 ptpt -63.79 -29.89 71.04 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.223 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.73 -49.95 34.68 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -68.91 -42.16 77.21 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.46 -34.24 67.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.548 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.87 80.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.444 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.52 -41.3 85.15 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.692 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 pt -82.89 -39.4 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 119.821 -0.752 . . . . 0.0 112.904 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.95 -40.15 68.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.919 -0.488 . . . . 0.0 111.256 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.15 -32.2 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 121.27 0.557 . . . . 0.0 109.524 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.08 -42.48 99.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.054 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.63 -44.0 96.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.17 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -52.53 -26.63 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -87.26 90.05 8.22 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 126.72 52.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.678 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -84.96 162.04 36.77 Favored Glycine 0 N--CA 1.425 -2.037 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.52 68.59 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 117.231 0.516 . . . . 0.0 109.804 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -156.44 -70.45 0.11 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.565 1.146 . . . . 0.0 110.163 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.9 -39.6 97.74 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.805 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.537 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 22.7 m-20 -84.61 4.17 33.49 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.445 0.641 . . . . 0.0 110.339 -177.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -97.72 -26.59 14.68 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -87.61 -55.42 3.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 45.4 mtmt -119.28 131.89 55.82 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 172.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.48 -33.52 54.55 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 70.78 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.375 1.07 . . . . 0.0 110.217 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' CE ' ' HA3' ' A' ' 64' ' ' GLY . 44.6 mttm -72.81 -19.43 61.33 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 19.0 m -61.72 -26.72 68.22 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.127 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -85.71 -33.12 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 109.413 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.62 -29.51 70.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.156 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 30' ' ' SER 0.256 0.0 OUTLIER -64.31 -27.84 69.31 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 178.807 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.83 0.824 . . . . 0.0 109.501 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 31.2 tp -71.8 -40.84 68.9 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.642 HG22 HD22 ' A' ' 40' ' ' LEU . 6.2 pt -66.3 -43.52 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.99 -26.15 68.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.868 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.529 HD22 ' HG2' ' A' ' 39' ' ' GLU . 6.5 t30 -97.05 -62.22 1.29 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HG2' HD22 ' A' ' 38' ' ' ASN . 26.1 mm-40 -91.94 -52.91 4.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -173.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.642 HD22 HG22 ' A' ' 36' ' ' ILE . 4.1 mp -67.18 -33.78 76.13 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.406 -170.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -122.68 74.88 1.22 Allowed 'General case' 0 N--CA 1.42 -1.973 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.189 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -119.69 14.93 12.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.224 -1.353 . . . . 0.0 107.377 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -110.51 87.37 2.51 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.652 -1.158 . . . . 0.0 107.997 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.95 70.04 9.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.773 0.797 . . . . 0.0 110.724 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -124.99 -77.79 0.59 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.546 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.52 -33.61 60.75 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.672 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm 58.44 76.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.326 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -93.45 -13.58 27.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 122.064 0.935 . . . . 0.0 109.438 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 4.9 pt-20 -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.24 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.98 -40.76 63.99 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 112.14 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.93 -55.83 4.35 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.048 0.928 . . . . 0.0 110.608 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 79' ' ' MET . 58.0 t -72.13 -38.08 61.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.559 ' O ' ' HG2' ' A' ' 57' ' ' MET . 37.6 t -56.3 -41.09 69.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 118.084 0.402 . . . . 0.0 111.771 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.94 -44.91 95.79 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.06 0.457 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.34 -36.15 83.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.541 0.686 . . . . 0.0 109.838 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 12.2 t -62.92 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 C-N-CA 124.773 1.229 . . . . 0.0 110.597 174.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -66.38 -29.56 69.76 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.019 0.438 . . . . 0.0 110.607 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -73.59 -53.26 10.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.963 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -62.31 -34.78 77.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.754 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 3.5 tp -44.43 -40.99 5.9 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 126.266 1.826 . . . . 0.0 110.836 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.32 -49.78 3.28 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.717 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -46.82 43.55 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -72.18 -32.3 66.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.443 ' HA3' ' CE ' ' A' ' 29' ' ' LYS . . . -125.68 -172.94 13.51 Favored Glycine 0 N--CA 1.438 -1.224 0 C-N-CA 119.624 -1.274 . . . . 0.0 113.562 -177.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.35 -51.27 4.44 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.68 42.15 0.02 OUTLIER Glycine 0 C--N 1.283 -2.403 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 156.13 45.03 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 124.176 0.99 . . . . 0.0 110.78 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.4 m -141.27 139.78 33.76 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.806 171.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.21 163.4 24.79 Favored 'General case' 0 C--N 1.277 -2.578 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -64.9 -23.49 67.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 117.938 0.335 . . . . 0.0 111.27 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.32 -35.18 78.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.09 -0.644 . . . . 0.0 109.66 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.54 -29.39 37.16 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -58.58 -44.88 89.95 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 176.107 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -50.02 72.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.651 172.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -55.56 -54.21 46.84 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.748 -177.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -64.12 -40.52 96.37 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.06 -43.19 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.028 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.583 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -67.9 -29.38 68.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.66 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 75' ' ' ALA 0.293 23.6 ptt? -85.35 -34.63 21.76 Favored 'General case' 0 N--CA 1.425 -1.702 0 C-N-CA 118.594 -1.243 . . . . 0.0 113.417 177.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.1 m -76.32 -37.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -84.83 -53.13 5.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.254 0.55 . . . . 0.0 111.226 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 21.0 m -89.99 -70.33 0.67 Allowed 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.125 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 54.75 38.41 30.09 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.662 0.785 . . . . 0.0 110.365 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m 75.32 -9.93 1.32 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.214 1.406 . . . . 0.0 112.773 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -85.25 141.29 30.21 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 124.988 1.315 . . . . 0.0 111.797 -173.416 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 CA--C 1.492 -1.268 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.518 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 41.5 tt0 . . . . . 0 N--CA 1.433 -1.305 0 O-C-N 126.064 2.103 . . . . 0.0 105.44 -171.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 57.1 m . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 120.856 0.36 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 6.8 tp10 -81.65 -39.93 23.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -175.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 73' ' ' PHE . 3.7 mm? -67.42 -25.28 65.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.38 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' B' ' 1' ' ' SER . 37.4 tt0 -56.83 -60.53 3.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.445 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 17.7 ptpt -60.93 -29.88 69.88 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.446 -176.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.57 -52.33 13.84 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -65.75 -43.36 89.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.66 -33.49 63.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -47.21 79.01 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.863 0.364 . . . . 0.0 110.454 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.12 -40.11 84.4 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.764 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 pt -83.52 -41.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.653 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 20.9 t70 -68.73 -41.35 79.1 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.749 0.309 . . . . 0.0 111.364 -175.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.25 -31.64 47.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.33 -45.69 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.518 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 73.7 t60 -58.46 -44.36 89.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.937 176.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.7 mt-30 -51.07 -29.01 11.74 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.595 0.559 . . . . 0.0 112.5 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -84.09 87.06 7.13 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -103.85 122.9 46.11 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.458 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.16 165.0 46.52 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -37.92 73.37 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 117.583 0.691 . . . . 0.0 109.635 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -151.41 -64.08 0.18 Allowed 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.097 0.559 . . . . 0.0 110.784 172.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.34 96.15 Favored Glycine 0 CA--C 1.501 -0.789 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.627 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 21.5 m-20 -80.97 -0.17 38.26 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 121.201 0.524 . . . . 0.0 110.015 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -94.52 -20.15 19.9 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -93.94 -56.17 2.97 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 48.0 mtmt -120.44 130.95 54.55 Favored 'General case' 0 N--CA 1.42 -1.964 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.51 -34.39 60.81 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -171.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' C ' ' B' ' 66' ' ' GLY . 10.4 mptt 71.6 139.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.71 1.204 . . . . 0.0 110.079 -172.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' CE ' ' HA3' ' B' ' 64' ' ' GLY . 44.9 mttm -73.03 -19.07 61.26 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' B' ' 33' ' ' LYS . 12.7 m -60.44 -28.42 68.27 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.914 174.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -85.56 -31.91 22.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.586 -0.696 . . . . 0.0 109.221 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.36 -28.78 70.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.934 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' B' ' 30' ' ' SER 0.263 0.0 OUTLIER -66.11 -23.03 66.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.715 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.43 -38.47 49.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.071 0.939 . . . . 0.0 108.736 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.557 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 31.2 tp -65.59 -40.06 92.26 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.201 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.594 HG22 HD22 ' B' ' 40' ' ' LEU . 6.6 pt -66.93 -42.21 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -63.79 -27.03 68.91 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.93 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -97.51 -57.62 2.2 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -94.85 -53.58 3.79 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.594 HD22 HG22 ' B' ' 36' ' ' ILE . 4.2 mp -65.95 -36.91 84.64 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.567 -170.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -121.73 77.17 1.33 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 118.424 -1.311 . . . . 0.0 108.79 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -121.17 18.37 11.56 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -114.17 87.44 2.63 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.91 66.81 7.03 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.481 0.658 . . . . 0.0 110.358 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.07 -68.23 0.9 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.622 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.62 -33.04 28.02 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.331 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm 57.36 80.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 124.053 0.941 . . . . 0.0 111.899 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' B' ' 83' ' ' ALA . 30.5 mmmt -98.41 -15.05 19.81 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.125 0.964 . . . . 0.0 109.237 176.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.13 -33.74 67.69 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.839 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -53.76 -41.85 67.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.192 0.52 . . . . 0.0 111.816 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.28 -54.28 5.37 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.906 0.86 . . . . 0.0 110.798 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.466 HG21 ' O ' ' B' ' 79' ' ' MET . 54.5 t -74.27 -38.64 48.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -168.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' B' ' 57' ' ' MET . 26.5 t -56.18 -42.48 73.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 118.034 0.379 . . . . 0.0 111.558 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.48 -42.18 98.38 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 111.614 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.33 -34.99 75.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.427 0.632 . . . . 0.0 109.777 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 10.6 t -62.86 -42.67 97.31 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.796 0 C-N-CA 124.332 1.053 . . . . 0.0 110.36 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.1 mmt -69.62 -20.52 63.61 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.374 0.607 . . . . 0.0 110.951 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -80.76 -56.63 4.01 Favored 'General case' 0 N--CA 1.432 -1.331 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 p -59.78 -34.9 73.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.474 0.71 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.604 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 3.6 tp -45.07 -40.57 6.85 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.889 1.676 . . . . 0.0 110.706 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -106.88 -45.73 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.218 -1.355 . . . . 0.0 113.284 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.18 -47.6 19.86 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -73.38 -31.62 64.01 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -170.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.483 ' HA3' ' CE ' ' B' ' 29' ' ' LYS . . . -124.07 -172.18 13.62 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 119.353 -1.403 . . . . 0.0 113.16 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -102.6 -46.08 4.85 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 123.669 0.788 . . . . 0.0 111.379 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.428 ' C ' ' HA ' ' B' ' 28' ' ' LYS . . . 153.92 41.7 0.02 OUTLIER Glycine 0 C--N 1.285 -2.271 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 154.72 47.9 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 124.222 1.009 . . . . 0.0 110.769 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.6 m -139.96 145.24 37.62 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.332 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -134.21 164.05 28.25 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -63.57 -24.7 67.92 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.363 0.265 . . . . 0.0 111.307 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.53 -35.53 80.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.753 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -82.28 -28.8 31.55 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 0.6 OUTLIER -58.76 -44.98 90.73 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 175.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -47.69 82.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.748 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -56.41 -56.08 25.54 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.256 -177.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -63.35 -40.56 97.61 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.86 -42.94 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.138 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.585 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.49 -30.01 68.75 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.566 -177.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.509 ' O ' ' HB2' ' B' ' 83' ' ' ALA 0.295 23.7 ptt? -85.07 -34.21 22.29 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 118.633 -1.227 . . . . 0.0 113.496 177.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.96 -36.71 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.185 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -85.17 -53.96 4.92 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.403 0.62 . . . . 0.0 111.361 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 18.4 m -89.32 -69.76 0.7 Allowed 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.737 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 56.19 34.98 24.94 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.69 0.796 . . . . 0.0 110.35 -177.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.9 m 76.97 -7.71 1.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.846 1.659 . . . . 0.0 112.389 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.27 144.93 27.16 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 N--CA 1.485 1.313 0 C-N-CA 124.172 0.989 . . . . 0.0 110.801 -173.413 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.446 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 10.4 m . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.15 -46.68 64.21 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.493 HD11 HG11 ' B' ' 77' ' ' VAL . 22.3 tp -80.71 -37.72 30.14 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.279 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.551 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 45.2 mt-10 -51.46 -53.89 32.52 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 123.919 0.762 . . . . 0.0 111.838 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 1' ' ' SER . 21.8 pttm -69.64 -30.28 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.771 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.78 -44.25 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.65 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -62.46 -47.07 85.64 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.028 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.0 t -59.98 -47.44 91.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.028 178.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.41 75.89 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 60.8 mt -63.87 -44.33 93.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.007 0.432 . . . . 0.0 111.917 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.27 -35.32 15.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-O 121.25 0.547 . . . . 0.0 111.329 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 37.2 t70 -71.26 -38.58 71.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.302 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.8 -32.26 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.379 0.609 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.28 10.69 6.48 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.565 1.174 . . . . 0.0 109.598 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 -33.49 4.82 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.792 175.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 50.9 mt-30 -60.37 -38.23 83.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -47.34 -47.48 25.79 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.983 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.61 -31.91 6.52 Favored Glycine 0 N--CA 1.423 -2.215 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 7.0 ppt_? -75.35 -34.94 61.22 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 tp10 -109.74 -50.58 2.97 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.713 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -57.82 -48.89 78.99 Favored Glycine 0 C--O 1.181 -3.193 0 CA-C-N 113.544 -1.662 . . . . 0.0 113.344 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -85.62 12.23 9.17 Favored 'General case' 0 C--N 1.283 -2.301 0 CA-C-N 118.248 1.024 . . . . 0.0 113.373 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -112.19 -40.84 4.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.147 0.498 . . . . 0.0 110.62 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.438 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . 15.8 m-70 -112.4 -28.79 7.75 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.382 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.0 mmpt? 80.74 -162.42 0.02 OUTLIER 'General case' 0 C--O 1.239 0.519 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -160.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.79 135.78 48.63 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.718 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -53.55 144.88 16.19 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 124.533 1.146 . . . . 0.0 108.395 170.341 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 16.3 ptpt -69.55 -20.08 63.68 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.987 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 3.1 p -62.44 -32.04 72.85 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.724 173.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -84.67 -17.46 38.46 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 121.908 -0.495 . . . . 0.0 112.148 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.4 tm? -60.86 -22.18 63.99 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.598 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.57 -38.24 66.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.71 172.409 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.52 -39.0 88.41 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.011 0.524 . . . . 0.0 110.544 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.6 -59.85 4.08 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.435 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG22 HD12 ' A' ' 40' ' ' LEU . 21.4 pt -64.61 -35.02 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -175.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.64 -29.0 70.0 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.195 0.521 . . . . 0.0 111.218 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -110.14 -60.74 1.76 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -97.08 74.35 2.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 122.15 0.976 . . . . 0.0 109.495 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 HG22 ' A' ' 36' ' ' ILE . 1.6 tt -170.48 -65.92 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -86.08 89.23 7.75 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.822 -173.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 36.5 m80 -127.48 -61.04 1.16 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' B' ' 4' ' ' GLU . 42.7 p90 -99.12 -7.91 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 3.0 mm? -91.27 92.28 8.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.608 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -149.37 18.49 0.94 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -126.79 -20.99 4.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -163.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.06 -80.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 C-N-CA 118.875 -1.13 . . . . 0.0 110.546 -172.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -127.11 -71.6 0.67 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 105.653 -1.981 . . . . 0.0 105.653 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 53' ' ' VAL . 33.3 mt-10 55.37 -65.24 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 164.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -51.3 -42.11 60.95 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -74.38 -28.28 61.03 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 122.1 0.953 . . . . 0.0 110.037 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 80' ' ' VAL . 3.5 t -87.51 -28.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.516 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.668 ' O ' HG12 ' A' ' 56' ' ' VAL . 97.9 t -63.68 -50.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.985 0.421 . . . . 0.0 110.774 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.63 -34.52 78.47 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.336 0.588 . . . . 0.0 110.69 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -30.71 57.14 Favored 'General case' 0 N--CA 1.423 -1.818 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.416 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 53' ' ' VAL . 3.0 p -71.06 -39.69 74.78 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -66.35 -33.11 74.98 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.162 0.506 . . . . 0.0 109.852 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.89 -57.12 4.92 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.487 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -65.21 -42.11 93.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 17.6 tp -58.46 -43.24 88.81 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.532 0.682 . . . . 0.0 110.453 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.38 -38.36 65.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.32 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.03 -44.15 85.52 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.811 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.14 -44.15 85.02 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . 78.51 -124.49 6.68 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 116.387 1.315 . . . . 0.0 116.387 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 12.6 m-20 -86.32 161.44 18.72 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.455 -176.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.44 9.15 4.61 Favored Glycine 0 C--N 1.312 -0.75 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.817 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 28' ' ' LYS 0.266 1.1 mp0 56.52 160.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 176.169 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 58.8 m -96.74 142.16 29.1 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.912 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.27 163.33 15.42 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -61.79 -28.86 69.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.165 0.507 . . . . 0.0 111.318 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -66.52 -33.74 76.37 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.458 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 46.5 mt-10 -72.35 -31.85 65.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' O ' HG12 ' A' ' 77' ' ' VAL . 1.6 t80 -59.55 -47.18 86.55 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.418 ' SD ' HD12 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -70.4 -40.75 73.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.42 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -57.31 -59.09 5.65 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.467 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 90.5 m-85 -61.49 -42.57 98.99 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -69.01 -45.78 79.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.18 72.39 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.226 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.486 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.9 ptt? -78.07 -28.14 48.77 Favored 'General case' 0 C--O 1.198 -1.607 0 C-N-CA 119.215 -0.994 . . . . 0.0 112.673 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' HA ' HG11 ' A' ' 52' ' ' VAL . 34.2 m -69.44 -37.27 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 C-N-CA 118.145 -1.422 . . . . 0.0 109.386 175.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -67.1 -47.52 70.95 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.281 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 36.4 p -93.53 -80.38 0.39 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 62.25 -78.2 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.276 1.83 . . . . 0.0 114.834 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.96 -8.44 57.98 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.776 -173.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' O ' ' HB ' ' A' ' 82' ' ' THR . 56.3 t-80 -133.35 127.68 34.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.835 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 . . . . . 0 C--O 1.208 -1.116 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 . . . . . 0 C--O 1.281 2.763 0 N-CA-C 100.299 -3.963 . . . . 0.0 100.299 -178.414 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 32.4 m . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.86 -48.17 59.83 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.484 HD11 HG11 ' A' ' 77' ' ' VAL . 19.8 tp -80.36 -38.4 30.52 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.564 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 45.1 mt-10 -50.3 -53.63 27.24 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 123.819 0.699 . . . . 0.0 112.046 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' B' ' 1' ' ' SER . 23.5 pttm -69.45 -33.97 73.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.6 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -68.2 -44.13 76.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.346 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -61.95 -45.85 91.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.936 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.94 -44.32 97.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.214 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.78 74.91 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 53.8 mt -63.92 -44.63 92.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.133 -175.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.5 mt -79.47 -35.39 16.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.46 -38.8 68.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.45 -32.33 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.89 11.25 5.18 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 122.691 1.234 . . . . 0.0 109.59 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.13 -33.2 4.21 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.967 1.307 . . . . 0.0 110.161 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.65 -32.91 73.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.635 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -49.69 -50.57 43.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -161.58 142.37 10.94 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.93 -33.0 4.49 Favored Glycine 0 N--CA 1.433 -1.542 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -73.82 -30.28 62.62 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 111.619 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.75 -51.78 2.65 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.733 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -56.55 -46.97 87.39 Favored Glycine 0 C--O 1.177 -3.454 0 CA-C-N 113.671 -1.604 . . . . 0.0 113.104 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.1 8.17 21.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 118.362 1.081 . . . . 0.0 113.487 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -108.61 -44.62 4.02 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.245 0.545 . . . . 0.0 110.542 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' B' ' 67' ' ' GLU . 22.4 m-70 -107.36 -29.08 9.48 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.891 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.733 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 8.9 mmpt? 79.85 -163.12 0.02 OUTLIER 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -159.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 7.2 mp -106.82 136.51 46.52 Favored 'General case' 0 C--N 1.287 -2.137 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.499 -176.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HB2' ' HA ' ' B' ' 65' ' ' ASP . 0.0 OUTLIER -55.24 145.76 20.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 124.541 1.151 . . . . 0.0 108.198 170.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 17.1 ptpt -70.66 -20.01 62.75 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.807 -173.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.2 p -63.38 -30.3 71.46 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 120.712 0.291 . . . . 0.0 110.415 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.93 -17.59 37.28 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.0 111.81 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.43 HD13 ' O ' ' B' ' 32' ' ' LEU . 3.4 tm? -61.28 -22.31 64.73 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 173.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.45 -38.83 66.79 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.601 172.492 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.42 -36.57 81.52 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.176 0.513 . . . . 0.0 110.983 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.25 -60.15 3.55 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.137 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.517 HG22 HD12 ' B' ' 40' ' ' LEU . 22.7 pt -64.86 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -176.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.12 -32.67 74.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.127 0.489 . . . . 0.0 110.89 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -108.32 -61.2 1.62 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -96.1 75.07 3.02 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 122.142 0.972 . . . . 0.0 109.333 -175.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.517 HD12 HG22 ' B' ' 36' ' ' ILE . 1.8 tt -171.88 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.1 m -85.58 89.95 7.85 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.913 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.551 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 36.2 m80 -131.26 -67.5 0.7 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -92.58 -20.1 21.25 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 117.965 -1.494 . . . . 0.0 110.161 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.94 96.17 6.32 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.527 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -149.43 21.94 0.93 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.66 -25.9 3.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -164.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.46 -80.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 118.811 0.732 . . . . 0.0 111.816 -170.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -129.33 -69.65 0.69 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 40.6 mt-10 53.37 -68.52 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.787 0 N-CA-C 118.845 2.906 . . . . 0.0 118.845 164.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -46.35 -48.18 18.47 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -167.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.07 -34.36 77.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.265 1.031 . . . . 0.0 110.103 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 3.7 t -83.78 -25.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.401 -174.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.647 ' O ' HG12 ' B' ' 56' ' ' VAL . 96.5 t -65.02 -47.94 86.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-O 120.693 0.282 . . . . 0.0 111.098 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.88 -35.5 76.95 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.661 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -71.99 -32.07 66.87 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.647 HG12 ' O ' ' B' ' 53' ' ' VAL . 3.7 p -70.81 -40.69 76.97 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.9 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.6 mmt -64.12 -41.5 97.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.41 -54.96 32.61 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.818 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -67.54 -41.55 84.11 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 18.2 tp -58.67 -44.99 90.36 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 123.642 0.589 . . . . 0.0 110.786 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.55 -35.75 58.05 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.736 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.52 -46.28 90.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.97 -49.04 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.78 -113.18 3.62 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 170.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 9.3 m-20 -92.75 169.44 10.48 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.847 -174.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.34 14.22 7.13 Favored Glycine 0 C--N 1.315 -0.585 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.17 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' B' ' 28' ' ' LYS 0.257 1.3 mp0 54.72 162.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 177.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 58.0 m -100.79 139.59 36.26 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.275 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.74 163.55 15.68 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 173.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -58.91 -31.1 68.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.256 0.551 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.66 -34.14 77.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.902 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.46 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 51.0 mt-10 -72.79 -32.27 65.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.543 ' O ' HG12 ' B' ' 77' ' ' VAL . 1.4 t80 -59.3 -48.17 82.63 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -41.45 77.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -59.17 5.67 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.46 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 89.3 m-85 -61.39 -41.84 97.76 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 73' ' ' PHE . 7.3 p -68.97 -45.99 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.77 70.91 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.856 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.537 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 27.0 ptt? -78.87 -25.63 43.92 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.515 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 49' ' ' GLU . 34.2 m -71.44 -35.98 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.062 174.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m -67.8 -49.47 62.16 Favored 'General case' 0 N--CA 1.412 -2.356 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -92.85 -80.06 0.38 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 62.18 -84.38 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.972 1.709 . . . . 0.0 114.282 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.7 m -75.84 -22.39 56.3 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.01 -173.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -123.62 121.33 35.29 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.298 -1.658 0 O-C-N 123.933 0.77 . . . . 0.0 108.949 178.747 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.0 tp10 -73.78 -47.69 37.07 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' B' ' 35' ' ' LEU . 3.2 tm? -80.9 -29.92 35.53 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -177.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.53 -52.01 65.14 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.247 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 52.8 pttt -68.33 -26.78 65.78 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.155 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.52 -53.1 31.47 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.744 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -61.1 -40.14 92.61 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 109.934 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -40.56 89.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.5 mp -62.89 -46.55 87.32 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.243 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.518 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 24.9 pt -72.29 -23.95 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.47 -27.99 29.08 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.717 0.294 . . . . 0.0 110.856 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 10' ' ' LEU . 6.0 p -68.77 -26.03 31.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.744 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 15.3 m-85 -65.66 -44.62 85.74 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.05 -39.29 81.57 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.105 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -65.57 -23.16 66.78 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -90.65 -172.48 3.41 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -73.2 167.96 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -173.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.552 ' CA ' ' HB2' ' A' ' 23' ' ' ASP . . . 111.44 127.49 5.06 Favored Glycine 0 N--CA 1.414 -2.782 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.451 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -100.04 -34.63 10.0 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 176.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.74 -82.23 0.48 Allowed 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.7 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.1 99.44 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.998 -0.546 . . . . 0.0 114.403 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.6 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 2.5 m-20 -81.99 -14.78 55.5 Favored 'General case' 0 C--O 1.2 -1.549 0 CA-C-N 117.218 0.509 . . . . 0.0 110.268 -173.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -81.81 -21.5 37.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.914 0.864 . . . . 0.0 109.507 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -104.45 -41.65 5.68 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.352 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 9.3 mmpt? -118.52 95.05 4.7 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 23' ' ' ASP . 3.3 mm? -58.05 -35.66 71.66 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -166.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 13.1 mptt 83.87 126.87 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 125.152 1.381 . . . . 0.0 109.103 -166.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 12.3 ptmt -64.56 -18.58 64.98 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.547 -177.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 8.5 m -63.98 -28.53 69.88 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.259 173.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.35 -32.37 64.5 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.28 -29.84 69.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.141 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -59.51 -51.77 68.45 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.384 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.69 -29.57 68.87 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.111 0.481 . . . . 0.0 111.3 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' B' ' 3' ' ' LEU . 3.1 tm? -61.72 -55.62 28.37 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.861 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.534 ' HB ' HD12 ' A' ' 40' ' ' LEU . 11.9 pt -64.95 -35.18 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -37.39 60.96 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 7.4 t30 -101.27 -45.09 5.46 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.73 -34.98 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -173.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.675 HD11 HG21 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -75.23 -64.87 0.97 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.709 0.766 . . . . 0.0 108.941 -173.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -92.13 37.81 0.99 Allowed 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.412 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 19.8 t-80 -75.78 88.48 2.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.933 0.397 . . . . 0.0 110.515 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 63.81 18.03 10.89 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.797 1.239 . . . . 0.0 112.425 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 tp -143.54 81.03 1.69 Allowed 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.89 -78.96 0.54 Allowed 'General case' 0 C--O 1.186 -2.255 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.079 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -80.06 103.3 9.85 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.491 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.463 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 73.0 mt -135.74 -64.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.1 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -158.31 -23.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.449 1.099 . . . . 0.0 113.111 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.75 -33.8 73.47 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 126.947 2.099 . . . . 0.0 113.543 -176.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.47 -35.3 52.35 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.96 -45.64 84.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.61 0.719 . . . . 0.0 109.16 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 80' ' ' VAL . 39.9 t -74.64 -31.79 27.83 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.504 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 76.5 t -57.81 -43.87 85.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.054 0.541 . . . . 0.0 111.128 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.7 -39.78 94.24 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.519 0.676 . . . . 0.0 110.573 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -67.09 -39.21 86.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.846 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.25 -45.78 97.97 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 125.078 1.351 . . . . 0.0 110.466 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.1 mmt -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.501 0.191 . . . . 0.0 111.149 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.65 -59.5 4.2 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.5 p -61.81 -45.08 95.4 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -50.68 -50.18 55.47 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.864 0.866 . . . . 0.0 110.537 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.19 -42.38 26.18 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.589 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.58 -46.33 88.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.574 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.31 -60.71 2.25 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.187 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.7 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 124.051 0.844 . . . . 0.0 114.773 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 20.9 m-20 -61.24 -31.25 71.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.352 0.596 . . . . 0.0 111.721 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 99.2 3.9 56.57 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 11.2 pt-20 -148.58 -178.24 6.22 Favored 'General case' 0 N--CA 1.409 -2.508 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 6.9 t -157.4 155.71 30.98 Favored 'General case' 0 N--CA 1.415 -2.193 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 171.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -140.02 171.81 13.66 Favored 'General case' 0 C--N 1.274 -2.682 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -60.71 -29.27 69.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.521 0.513 . . . . 0.0 110.025 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -63.91 -42.86 97.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.197 176.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 42.4 mt-10 -71.13 -39.28 72.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.881 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.3 m-85 -55.17 -46.02 75.78 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 123.48 0.488 . . . . 0.0 109.793 174.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.474 ' SD ' HD22 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -64.1 -51.98 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.527 0.517 . . . . 0.0 110.801 176.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.76 -59.36 4.97 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -60.49 -45.62 93.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.673 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.2 p -75.06 -35.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.74 -28.04 44.87 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.718 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.485 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 24.8 ptm -70.47 -40.02 73.9 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.425 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 40' ' ' LEU . 34.1 m -72.83 -50.61 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.986 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -85.01 -32.43 22.94 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -111.22 -57.82 2.19 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 79' ' ' MET . . . -54.4 -48.65 71.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -172.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.1 m -81.95 -13.44 57.48 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -97.1 -24.85 15.56 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.232 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.56 1.544 . . . . 0.0 111.995 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -171.732 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.6 tp10 -76.87 -42.29 40.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 35' ' ' LEU . 3.2 tm? -83.75 -30.64 26.51 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.93 -56.08 18.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.945 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 55.5 pttt -64.68 -29.71 70.71 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.424 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.613 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -65.21 -51.93 57.9 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.451 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -62.04 -39.14 91.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.949 0.404 . . . . 0.0 109.986 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.96 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.104 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -63.45 -43.21 98.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.672 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.613 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.6 mp -62.71 -45.52 92.34 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.473 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.479 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 24.9 pt -73.33 -23.89 20.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -176.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.29 -28.82 28.84 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.564 HG12 ' O ' ' B' ' 10' ' ' LEU . 5.4 p -68.41 -26.99 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.676 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 16.1 m-85 -64.93 -44.73 88.52 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.61 -40.58 83.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.296 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.55 -15.46 63.67 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 176.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -95.4 -173.81 3.01 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.0 p -71.05 163.29 27.88 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.278 0.561 . . . . 0.0 112.469 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.545 ' CA ' ' HB2' ' B' ' 23' ' ' ASP . . . 116.77 128.7 4.19 Favored Glycine 0 N--CA 1.415 -2.735 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.068 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.405 ' H ' ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -101.92 -35.14 9.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.176 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.93 -78.59 0.51 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.624 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.06 91.38 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 114.579 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.565 ' O ' ' HA ' ' B' ' 27' ' ' LEU . 9.2 m-20 -78.1 -17.96 56.29 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-N 117.44 0.62 . . . . 0.0 110.185 -173.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -79.12 -24.34 43.46 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.794 0.807 . . . . 0.0 109.943 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -103.07 -40.76 6.34 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.579 0.704 . . . . 0.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.534 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 8.8 mmpt? -119.28 94.18 4.34 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.565 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.5 mm? -57.67 -34.93 69.91 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -167.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.2 mptt 80.77 122.82 0.05 OUTLIER 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.364 1.066 . . . . 0.0 109.278 -168.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HB2' ' B' ' 68' ' ' CYS . 11.7 ptmt -59.35 -18.4 37.96 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.557 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 15.0 m -64.94 -31.58 72.89 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 122.283 -0.261 . . . . 0.0 110.303 173.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.5 -30.9 67.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.244 0.545 . . . . 0.0 109.571 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.487 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -61.22 -30.42 70.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.082 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.557 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.3 OUTLIER -59.93 -50.78 72.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.352 175.1 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.13 -34.88 79.46 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 120.972 0.415 . . . . 0.0 111.152 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' A' ' 3' ' ' LEU . 3.2 tm? -58.03 -55.59 32.94 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.286 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.599 ' HB ' HD12 ' B' ' 40' ' ' LEU . 13.7 pt -66.14 -34.68 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -33.13 54.71 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' B' ' 42' ' ' HIS . 6.9 t30 -104.04 -50.06 3.47 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -176.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.96 -32.9 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.752 HD11 HG21 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -74.9 -66.99 0.69 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.053 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -92.66 39.37 1.03 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.137 -172.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' B' ' 38' ' ' ASN . 25.4 t-80 -76.32 90.46 3.19 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 122.183 -0.323 . . . . 0.0 110.365 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 59.84 21.89 10.81 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.577 1.151 . . . . 0.0 111.966 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.32 79.21 1.49 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -103.24 -89.33 0.39 Allowed 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.588 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 103.35 1.78 Allowed 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.52 0.728 . . . . 0.0 112.957 -171.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -135.57 -78.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -154.78 16.09 0.43 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.379 1.071 . . . . 0.0 109.786 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.479 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -97.11 -35.95 10.64 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.39 -174.1 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -54.19 -35.0 61.88 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.48 -48.97 75.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' B' ' 80' ' ' VAL . 45.3 t -70.05 -34.38 59.23 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.583 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.406 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' B' ' 57' ' ' MET . 77.5 t -57.77 -42.32 81.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 C-N-CA 123.108 0.563 . . . . 0.0 111.232 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.88 -37.92 79.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.265 0.555 . . . . 0.0 110.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.37 -38.6 87.92 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.927 0.87 . . . . 0.0 109.424 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.63 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 C-N-CA 124.95 1.3 . . . . 0.0 110.528 172.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -64.18 -28.58 69.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -71.48 -61.16 1.87 Allowed 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -60.95 -43.1 99.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 16.6 tp -51.35 -49.46 61.38 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.817 0.847 . . . . 0.0 110.78 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -83.53 -38.12 22.14 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.478 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -65.13 -49.49 69.71 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.434 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.35 -61.42 2.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.686 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.73 80.95 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 O-C-N 123.962 0.789 . . . . 0.0 114.827 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.82 -22.24 63.31 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 122.069 -0.665 . . . . 0.0 110.804 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.61 5.32 75.06 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -173.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.82 -175.12 5.0 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.505 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 7.6 t -157.93 161.29 38.21 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -146.32 170.77 16.11 Favored 'General case' 0 C--N 1.279 -2.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -60.7 -30.18 69.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.93 -39.58 95.02 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.949 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 45.5 mt-10 -75.02 -39.74 60.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.531 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.634 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.6 m-85 -54.91 -46.5 74.86 Favored 'General case' 0 CA--C 1.502 -0.875 0 O-C-N 123.488 0.492 . . . . 0.0 109.788 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.443 ' SD ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.59 -52.57 60.39 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.466 0.479 . . . . 0.0 110.859 176.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.78 -59.26 5.13 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -59.96 -47.66 84.88 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.646 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.3 p -73.73 -35.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.848 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.86 52.94 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.29 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.438 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 27.5 ptm -74.68 -34.3 62.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.761 -0.775 . . . . 0.0 110.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.752 HG21 HD11 ' B' ' 40' ' ' LEU . 35.9 m -76.68 -46.64 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.7 m -85.81 -36.91 19.77 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -110.29 -55.48 2.46 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -169.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' B' ' 79' ' ' MET . . . -52.48 -59.68 4.15 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 m -75.5 -18.58 59.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.023 0.439 . . . . 0.0 111.624 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.82 -24.44 23.72 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.555 1.166 0 C-N-CA 125.962 1.705 . . . . 0.0 110.917 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.44 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 73.1 m . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -63.78 -49.98 70.81 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-O 121.506 0.67 . . . . 0.0 110.626 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD21 HD23 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -87.11 -27.81 22.88 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -177.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 39.0 tt0 -54.96 -53.27 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.139 176.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -65.04 -26.5 68.29 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.356 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.28 -52.02 45.78 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.362 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -64.86 -42.25 95.01 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.57 -42.82 92.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.698 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.33 85.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.588 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.439 HD23 HD21 ' B' ' 3' ' ' LEU . 83.7 mt -53.72 -43.98 69.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.184 0.516 . . . . 0.0 111.155 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 -45.73 24.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.026 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 23.8 t70 -70.93 -31.79 68.5 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.14 -34.32 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -63.7 -42.63 97.94 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.8 t60 -55.09 -38.8 68.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.068 1.347 . . . . 0.0 111.607 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HB3' HD21 ' A' ' 27' ' ' LEU . 5.3 m-85 -66.38 150.73 48.45 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 m -76.6 22.76 0.17 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' HA3' ' HG ' ' A' ' 27' ' ' LEU . . . -124.88 4.74 8.47 Favored Glycine 0 C--N 1.305 -1.156 0 C-N-CA 119.645 -1.264 . . . . 0.0 111.275 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 5.4 ppt_? -59.18 -21.53 59.58 Favored 'General case' 0 C--O 1.209 -1.057 0 C-N-CA 124.219 1.008 . . . . 0.0 113.059 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.72 -45.6 0.88 Allowed 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.28 -30.08 76.82 Favored Glycine 0 C--O 1.241 0.581 0 N-CA-C 115.809 1.084 . . . . 0.0 115.809 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 23.7 t70 -83.77 -94.82 0.06 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.041 0.92 . . . . 0.0 112.535 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -117.04 15.64 15.07 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 t60 73.64 12.16 4.59 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -166.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 52.9 mtmt -152.25 173.82 14.54 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 17' ' ' TYR . 6.8 mp -116.9 147.04 42.55 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 118.835 0.743 . . . . 0.0 110.94 -171.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -59.57 154.4 17.59 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 99.2 mttt -65.28 -20.66 66.51 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.117 0.484 . . . . 0.0 111.82 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.3 m -61.48 -29.68 70.13 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 123.53 0.732 . . . . 0.0 110.411 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.37 -29.95 25.83 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.752 0.787 . . . . 0.0 109.217 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.89 -30.2 70.72 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 114.606 -1.179 . . . . 0.0 108.38 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 30' ' ' SER . 6.2 ttmt -51.63 -54.81 23.84 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.25 1.42 . . . . 0.0 110.725 175.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.39 -36.33 83.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.241 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 12.2 tp -61.14 -53.11 61.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.947 177.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 32' ' ' LEU . 10.0 pt -67.91 -25.93 33.52 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -35.07 66.43 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 174.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -112.46 -67.5 0.99 Allowed 'General case' 0 C--O 1.247 0.963 0 CA-C-O 121.275 0.56 . . . . 0.0 112.061 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.276 58.2 mm-40 -87.82 74.13 9.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 123.245 1.498 . . . . 0.0 113.678 -175.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.636 ' HG ' HG23 ' A' ' 77' ' ' VAL . 4.1 tt -128.0 -60.81 1.13 Allowed 'General case' 0 C--N 1.269 -2.913 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 171.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -169.96 47.13 0.03 OUTLIER 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.715 1.606 . . . . 0.0 107.553 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 m80 73.5 -71.81 0.13 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.638 1.175 . . . . 0.0 112.217 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -133.52 -79.83 0.47 Allowed 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.374 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 73.2 mt 63.28 90.95 0.08 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.501 1.12 . . . . 0.0 109.966 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -133.59 5.77 3.72 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -131.77 1.67 4.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -168.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.637 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 3.1 mp -100.36 -72.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 118.384 -1.326 . . . . 0.0 110.274 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 1.7 tmmm? -153.22 -29.04 0.14 Allowed 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.439 0.638 . . . . 0.0 109.577 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.637 ' OE1' ' HB ' ' A' ' 47' ' ' ILE . 2.9 pm0 -55.55 -27.36 48.56 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 126.191 1.797 . . . . 0.0 112.647 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -28.05 13.66 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 123.671 0.788 . . . . 0.0 112.92 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.54 -53.72 6.6 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.96 -37.47 79.87 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.271 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.608 ' O ' ' HG2' ' A' ' 57' ' ' MET . 73.1 t -56.47 -40.81 70.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 123.393 0.433 . . . . 0.0 110.572 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -68.52 -46.37 69.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.455 0.645 . . . . 0.0 109.784 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -62.96 -36.43 83.45 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.301 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.0 t -63.52 -47.16 92.8 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.578 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.131 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.608 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.0 mmt -58.76 -33.33 70.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.153 0.433 . . . . 0.0 112.144 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.77 -59.93 2.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.939 0.399 . . . . 0.0 110.396 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 p -61.65 -41.73 97.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.418 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.9 tp -53.42 -51.03 63.92 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 125.247 1.419 . . . . 0.0 109.84 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.34 -40.64 73.97 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 114.174 -1.376 . . . . 0.0 112.14 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -76.99 -48.26 18.47 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.597 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -82.58 -33.52 28.03 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 123.175 0.59 . . . . 0.0 112.508 -173.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.63 49.48 4.19 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.961 -0.638 . . . . 0.0 114.649 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.44 -25.61 31.06 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.597 0.713 . . . . 0.0 109.76 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.53 -63.99 1.4 Allowed Glycine 0 N--CA 1.432 -1.577 0 CA-C-N 114.997 -1.002 . . . . 0.0 111.461 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -172.09 178.12 3.01 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.555 0.342 . . . . 0.0 110.663 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 49.1 t -131.72 120.78 23.2 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 173.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.05 168.1 11.62 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -66.15 -24.6 66.69 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.379 0.609 . . . . 0.0 109.608 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.62 -37.99 88.14 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.045 175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 42.0 mt-10 -83.53 -27.06 29.6 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.752 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -54.54 -53.42 54.68 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 172.266 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -46.92 88.65 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.201 174.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -52.33 -56.19 16.49 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.54 -176.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.472 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 71.7 m-85 -62.69 -46.05 89.92 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.636 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.6 p -70.03 -30.78 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.798 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.3 -39.86 31.84 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.515 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.472 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 27.5 ptm -68.68 -36.97 79.21 Favored 'General case' 0 C--O 1.203 -1.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 40' ' ' LEU . 27.8 m -65.35 -31.97 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.513 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.1 m -78.67 -23.67 45.55 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.057 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -116.12 -88.16 0.59 Allowed 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.981 -0.449 . . . . 0.0 112.138 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.78 76.61 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.489 1.516 . . . . 0.0 113.857 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -169.36 -57.27 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -155.4 -70.91 0.12 Allowed 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -160.3 -98.39 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 97.3 m-85 -104.38 11.04 35.11 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 122.788 0.435 . . . . 0.0 110.907 -178.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -49.79 -42.04 45.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.4 -0.12 57.25 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -142.4 -60.31 0.45 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 43.5 tt0 . . . . . 0 CA--C 1.504 -0.803 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -166.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' B' ' 4' ' ' GLU . 74.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.42 ' HA ' ' HE3' ' B' ' 5' ' ' LYS . 16.6 tp10 -65.53 -50.34 65.59 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.413 0.625 . . . . 0.0 110.787 -175.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.439 HD21 HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -85.6 -28.72 24.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -176.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' B' ' 1' ' ' SER . 42.4 tt0 -55.06 -53.6 53.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.933 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' B' ' 2' ' ' GLU . 23.1 pttp -67.95 -20.61 65.08 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.585 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -52.04 18.52 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.183 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -64.36 -43.32 94.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.88 -43.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.727 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.29 87.08 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.654 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.434 HD23 HD21 ' A' ' 3' ' ' LEU . 84.9 mt -53.23 -43.56 67.39 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.174 0.511 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -79.65 -45.33 23.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.899 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 21.3 t70 -67.21 -35.46 79.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.09 -34.6 64.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -63.84 -42.52 97.57 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 6.2 t60 -55.0 -39.34 68.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.764 1.225 . . . . 0.0 111.356 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.92 -40.49 97.77 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.447 ' HB3' HD21 ' B' ' 27' ' ' LEU . 5.9 m-85 -66.56 149.77 49.98 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.3 m -74.32 11.56 0.94 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -170.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.428 ' HA3' ' HG ' ' B' ' 27' ' ' LEU . . . -111.91 3.28 27.26 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 119.716 -1.23 . . . . 0.0 111.613 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' B' ' 20' ' ' ARG . 6.1 ppt_? -58.16 -19.21 31.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.293 1.037 . . . . 0.0 113.411 -176.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -133.08 -50.15 0.87 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.083 0.468 . . . . 0.0 109.826 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.36 -35.89 89.63 Favored Glycine 0 C--N 1.314 -0.663 0 N-CA-C 115.717 1.047 . . . . 0.0 115.717 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.564 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 19.6 t70 -78.03 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.849 0.825 . . . . 0.0 112.476 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -125.86 22.28 7.45 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 t60 68.04 13.5 9.13 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 51.0 mtmt -153.87 173.21 16.23 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 17' ' ' TYR . 6.8 mp -117.42 147.2 42.9 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 118.843 0.747 . . . . 0.0 110.476 -171.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -60.99 158.39 13.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 99.4 mttt -67.71 -22.87 65.24 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -177.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 2.3 p -62.55 -26.68 68.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.611 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.08 -30.47 25.99 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.772 0.796 . . . . 0.0 109.316 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.573 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.33 -29.29 70.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.58 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' B' ' 30' ' ' SER . 7.8 ttmt -51.49 -55.38 19.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.235 1.414 . . . . 0.0 110.734 175.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.17 -32.95 74.89 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.769 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 14.2 tp -65.64 -50.54 64.6 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.611 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.573 HG12 ' O ' ' B' ' 32' ' ' LEU . 9.2 pt -69.11 -24.82 28.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.33 -39.65 64.24 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.417 173.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -113.41 -65.37 1.19 Allowed 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.403 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.272 60.0 mm-40 -88.55 74.6 8.47 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 123.128 1.442 . . . . 0.0 113.511 -174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' B' ' 77' ' ' VAL . 4.0 tt -129.72 -59.44 1.07 Allowed 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 103.318 -2.845 . . . . 0.0 103.318 172.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -171.22 47.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.663 1.585 . . . . 0.0 107.877 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 51.6 m80 74.21 -73.42 0.1 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.396 1.078 . . . . 0.0 112.611 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.36 -78.0 0.52 Allowed 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.434 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.503 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 68.3 mt 61.18 95.22 0.04 OUTLIER 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.445 1.09 . . . . 0.0 110.463 -172.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -140.94 5.75 1.96 Allowed 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.695 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -129.07 -6.72 4.91 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.558 ' HB ' ' OE1' ' B' ' 49' ' ' GLU . 3.1 mp -96.59 -77.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 119.155 -1.018 . . . . 0.0 109.934 -176.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.496 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 1.7 tmmm? -148.53 -27.94 0.31 Allowed 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.491 0.662 . . . . 0.0 109.883 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.558 ' OE1' ' HB ' ' B' ' 47' ' ' ILE . 3.3 pm0 -55.45 -24.3 30.09 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 125.56 1.544 . . . . 0.0 112.068 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -27.69 17.68 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 123.571 0.749 . . . . 0.0 112.751 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -81.13 -53.83 6.05 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.2 -38.85 83.57 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.147 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' B' ' 57' ' ' MET . 74.1 t -56.08 -42.88 73.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 O-C-N 123.348 0.405 . . . . 0.0 110.272 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.3 -44.22 84.07 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.397 0.617 . . . . 0.0 110.853 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.91 -36.23 81.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.134 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.7 t -61.95 -47.14 94.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.561 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.21 172.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.586 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -58.32 -33.6 69.68 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -67.79 -58.5 4.5 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.111 0.481 . . . . 0.0 111.269 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.6 p -63.87 -39.79 95.03 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.044 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.5 tp -53.22 -53.2 54.19 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 125.248 1.419 . . . . 0.0 110.028 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.72 -41.87 74.74 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.692 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -74.81 -49.69 19.84 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.83 -36.36 42.64 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.13 40.42 2.53 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -77.79 -23.93 49.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.711 0.767 . . . . 0.0 109.638 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.93 -62.29 1.85 Allowed Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.914 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -176.67 175.54 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.473 0.709 . . . . 0.0 110.264 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 44.5 t -130.49 123.41 29.61 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -96.35 167.72 11.01 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.537 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -64.3 -25.87 68.23 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.196 0.522 . . . . 0.0 110.05 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.13 -38.76 92.21 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.258 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 75' ' ' ALA . 41.8 mt-10 -84.97 -25.88 27.49 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.272 -178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.604 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -54.87 -53.05 60.38 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -47.02 88.36 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.158 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' B' ' 72' ' ' GLU . . . -52.39 -55.78 19.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 123.633 0.583 . . . . 0.0 112.47 -176.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.489 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 71.5 m-85 -62.79 -45.63 91.75 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.627 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.4 p -70.5 -30.25 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.9 0.381 . . . . 0.0 111.736 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.83 -39.58 30.4 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.724 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.489 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 27.8 ptm -70.14 -36.66 74.9 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.598 HG21 HD11 ' B' ' 40' ' ' LEU . 28.1 m -65.36 -31.02 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 119.754 -0.778 . . . . 0.0 110.461 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 81.4 m -79.0 -25.66 43.33 Favored 'General case' 0 N--CA 1.42 -1.95 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.051 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 34.8 p -113.89 -87.94 0.56 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.913 -0.492 . . . . 0.0 112.009 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 41.54 76.43 0.07 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.545 1.538 . . . . 0.0 113.665 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.4 p -167.52 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -148.95 -71.64 0.2 Allowed 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' B' ' 87' ' ' PHE 0.262 0.0 OUTLIER -163.79 -98.31 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.615 0.766 . . . . 0.0 112.629 175.644 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.51 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 96.3 m-85 -102.07 11.64 38.08 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 121.912 -0.492 . . . . 0.0 110.88 -177.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -51.27 -43.01 61.47 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 123.494 0.718 . . . . 0.0 112.445 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -90.39 0.86 57.1 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -143.33 -57.9 0.41 Allowed 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 119.671 -0.812 . . . . 0.0 113.064 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 42.6 tt0 . . . . . 0 CA--C 1.505 -0.782 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 -167.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.475 ' HB3' ' CD ' ' B' ' 39' ' ' GLU . 24.7 m . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 5.9 tp10 -63.31 -47.14 83.5 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 123.112 0.565 . . . . 0.0 111.177 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.704 ' HG ' ' CZ ' ' B' ' 73' ' ' PHE . 2.8 tm? -70.61 -36.19 73.38 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 1' ' ' SER . 3.3 tm-20 -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.679 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 2' ' ' GLU . 45.1 mtpt -62.53 -52.35 63.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.561 0.696 . . . . 0.0 109.624 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -59.85 -50.35 74.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.275 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.38 -45.71 80.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.793 0.437 . . . . 0.0 111.891 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.9 t -67.76 -31.46 52.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -43.71 93.44 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.292 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 6' ' ' ALA . 6.6 mp -57.11 -49.07 77.03 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.043 0.449 . . . . 0.0 111.592 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 pt -73.06 -36.82 51.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.62 -37.76 59.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.76 -29.05 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.992 0.901 . . . . 0.0 108.753 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 68' ' ' CYS . 39.6 t80 -85.42 9.25 16.17 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.855 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.481 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 24.3 t60 -114.0 -46.03 3.03 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -56.54 -50.21 72.53 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.677 175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -78.73 125.99 30.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 111.153 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 65.23 41.33 4.48 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-N 114.249 -1.341 . . . . 0.0 107.79 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.86 75.04 0.32 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 113.795 -1.548 . . . . 0.0 113.204 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 6.7 ppt_? -162.3 -34.42 0.04 OUTLIER 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 126.399 1.88 . . . . 0.0 106.523 175.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 34.4 tt0 -105.71 -44.78 4.57 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 15' ' ' HIS . . . -74.33 -4.9 70.45 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.14 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 17.7 t70 -114.59 36.06 3.97 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -160.64 -56.55 0.05 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.629 -0.67 . . . . 0.0 112.259 -175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -144.96 21.83 1.59 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.271 0.558 . . . . 0.0 109.568 -173.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 6.3 mmpt? 66.68 173.97 0.25 Allowed 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.61 -171.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD12 ' OE2' ' A' ' 21' ' ' GLU . 52.9 tp -111.58 149.0 32.06 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -171.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -73.59 156.57 37.94 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.214 179.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 20.9 ptmt -65.19 -24.33 67.34 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.622 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' OG ' ' HA2' ' A' ' 64' ' ' GLY . 10.4 m -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.178 0.513 . . . . 0.0 110.268 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.51 -19.61 30.92 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.388 0.613 . . . . 0.0 109.869 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.3 tm? -62.12 -23.6 66.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.329 1.052 . . . . 0.0 108.736 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 34' ' ' GLU . 1.5 tmmt? -50.38 -50.14 52.37 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 124.559 1.144 . . . . 0.0 111.122 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.5 mt-10 -70.15 -29.15 65.99 Favored 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.539 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -70.87 -42.75 69.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.367 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 pt -67.83 -32.3 55.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.355 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 91.5 m-20 -58.13 -31.65 67.38 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.867 0.365 . . . . 0.0 111.684 174.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -92.74 -39.23 11.37 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 44.3 mm-40 -96.5 -26.14 15.4 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -174.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 77' ' ' VAL . 1.9 tm? -111.44 -53.71 2.68 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.39 0.614 . . . . 0.0 110.233 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 14.8 m -78.02 165.09 24.45 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 73.04 0.86 3.83 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.718 1.207 . . . . 0.0 110.259 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -132.16 -58.46 0.95 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -94.38 90.65 6.34 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.19 -19.77 12.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -131.69 82.84 2.05 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.403 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mt -138.44 -84.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.184 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.11 25.04 0.42 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 -176.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -98.64 -11.52 21.97 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.478 -1.237 . . . . 0.0 113.705 -172.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -55.83 -39.84 71.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.86 -50.41 9.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.069 0.937 . . . . 0.0 109.873 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.22 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.269 -1.332 . . . . 0.0 113.367 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 57' ' ' MET . 65.8 t -55.63 -41.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 O-C-N 123.155 0.285 . . . . 0.0 111.171 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.87 -43.16 89.16 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -65.21 -34.84 79.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.73 0.776 . . . . 0.0 110.269 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG22 ' HD1' ' A' ' 76' ' ' PHE . 16.8 t -67.3 -43.6 87.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 124.077 0.951 . . . . 0.0 111.152 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.1 mmt -64.32 -32.9 74.68 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.063 0.458 . . . . 0.0 110.079 177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.57 -56.16 8.09 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.75 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -58.81 -41.98 88.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.48 -41.32 80.42 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.57 -38.37 62.69 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.6 -57.93 4.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.14 -0.936 . . . . 0.0 113.101 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.42 -60.92 2.74 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' HA2' ' OG ' ' A' ' 30' ' ' SER . . . 74.47 -68.47 1.8 Allowed Glycine 0 C--O 1.251 1.213 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.642 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 67.34 -59.69 0.39 Allowed 'General case' 0 C--O 1.238 0.468 0 C-N-CA 127.003 2.121 . . . . 0.0 113.898 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 136.29 -33.5 2.36 Favored Glycine 0 C--N 1.285 -2.269 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.0 pt-20 -149.67 156.28 41.62 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 72' ' ' GLU . 13.0 t -102.66 127.95 49.55 Favored 'General case' 0 C--N 1.288 -2.098 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.29 161.56 28.0 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.408 ' HE1' ' HA ' ' B' ' 75' ' ' ALA . 51.8 p90 -64.86 -29.16 70.1 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-O 121.428 0.633 . . . . 0.0 109.332 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -70.8 -29.27 65.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.953 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.631 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 8.3 mm-40 -64.14 -52.75 57.57 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.427 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.678 ' CZ ' ' HG ' ' B' ' 3' ' ' LEU . 0.9 OUTLIER -58.88 -45.57 89.89 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -179.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 tpt -54.13 -51.11 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.796 0.685 . . . . 0.0 110.849 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.42 -49.53 75.09 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.554 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' HD1' HG22 ' A' ' 56' ' ' VAL . 71.9 m-85 -62.11 -49.52 75.56 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 73' ' ' PHE . 6.6 p -68.53 -35.92 72.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.054 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.37 -35.08 63.52 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 121.861 -0.525 . . . . 0.0 111.428 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.273 22.9 ptt? -79.17 -23.12 44.13 Favored 'General case' 0 C--O 1.196 -1.711 0 C-N-CA 118.655 -1.218 . . . . 0.0 112.593 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 40' ' ' LEU . 27.5 m -79.03 -41.98 23.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 118.44 -1.304 . . . . 0.0 110.125 173.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.1 m -73.84 -32.97 63.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.381 0.61 . . . . 0.0 111.66 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m -122.08 -58.15 1.74 Allowed 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.739 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 73.31 143.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 124.556 1.142 . . . . 0.0 112.781 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.4 m 49.13 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.164 1.386 . . . . 0.0 112.871 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -152.95 52.09 0.75 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.6 19.18 0.66 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.798 0.808 . . . . 0.0 110.983 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -83.5 100.64 10.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -150.28 -35.04 0.16 Allowed 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.296 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -91.53 -70.42 0.69 Allowed 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.213 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -85.4 -40.18 16.75 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 37.7 mt-10 . . . . . 0 C--O 1.271 2.207 0 O-C-N 124.767 1.292 . . . . 0.0 108.261 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.434 ' HB3' ' CD ' ' A' ' 39' ' ' GLU . 26.3 m . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.62 -48.14 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.331 0.586 . . . . 0.0 110.237 -174.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.678 ' HG ' ' CZ ' ' A' ' 73' ' ' PHE . 2.8 tm? -69.03 -31.97 71.15 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.608 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -61.07 -40.86 95.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.343 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.74 -47.74 71.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.554 0.693 . . . . 0.0 109.803 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.448 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -64.06 -51.66 63.03 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.214 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -56.06 -47.14 78.48 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.902 0.481 . . . . 0.0 111.951 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.81 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.958 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.42 91.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.416 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 6' ' ' ALA . 6.5 mp -57.37 -48.2 79.66 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 26.2 pt -73.77 -35.99 45.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.48 -38.43 55.33 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.21 -29.95 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-O 122.024 0.916 . . . . 0.0 108.611 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' B' ' 68' ' ' CYS . 40.9 t80 -85.26 9.46 15.17 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.953 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.511 ' HA ' ' O ' ' B' ' 22' ' ' GLY . 22.5 t60 -114.32 -45.21 3.05 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 173.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -56.49 -52.02 66.3 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.226 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -76.3 129.23 36.34 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.846 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.4 m 61.08 42.11 12.89 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 124.403 1.064 . . . . 0.0 108.863 -176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.68 69.23 0.57 Allowed Glycine 0 C--N 1.341 0.84 0 CA-C-N 113.796 -1.547 . . . . 0.0 113.336 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -156.81 -33.8 0.08 Allowed 'General case' 0 C--N 1.282 -2.342 0 C-N-CA 126.078 1.751 . . . . 0.0 107.249 174.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 34.9 tt0 -105.2 -44.86 4.65 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 172.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' B' ' 15' ' ' HIS . . . -73.12 -6.76 69.54 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.054 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 20.7 t70 -107.95 19.91 19.42 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.686 1.194 . . . . 0.0 108.491 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -147.19 -54.0 0.22 Allowed 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.623 -0.673 . . . . 0.0 112.188 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -145.04 24.13 1.48 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.468 0.651 . . . . 0.0 109.266 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.554 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 6.5 mmpt? 65.4 175.9 0.21 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.309 -171.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.442 HD12 ' OE2' ' B' ' 21' ' ' GLU . 50.2 tp -112.53 149.02 33.27 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -172.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.41 ' HD2' ' OE2' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -72.57 157.0 38.41 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 120.084 -0.647 . . . . 0.0 112.012 178.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' B' ' 32' ' ' LEU . 21.3 ptmt -67.27 -24.32 65.77 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.825 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.525 ' OG ' ' HA2' ' B' ' 64' ' ' GLY . 7.5 m -67.61 -31.22 71.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.186 0.517 . . . . 0.0 110.229 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -85.2 -22.35 28.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.395 0.617 . . . . 0.0 109.712 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.438 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -59.51 -23.44 62.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.347 1.059 . . . . 0.0 108.955 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.575 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 1.5 tmmt? -49.98 -48.01 52.54 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.908 1.283 . . . . 0.0 111.025 174.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.575 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 48.8 mt-10 -74.81 -24.96 58.72 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.888 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -74.82 -42.85 57.26 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.438 HG12 ' O ' ' B' ' 32' ' ' LEU . 4.4 pt -67.21 -30.93 50.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.397 174.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -57.94 -33.54 68.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -94.73 -31.83 13.61 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 46.9 mm-40 -100.89 -23.25 14.6 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.564 HD23 HG23 ' B' ' 77' ' ' VAL . 1.8 tm? -115.12 -55.31 2.48 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.349 0.595 . . . . 0.0 110.325 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -77.77 164.88 24.84 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 75.12 -0.15 3.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.99 1.316 . . . . 0.0 110.092 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.39 -61.31 0.92 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 123.584 0.754 . . . . 0.0 108.973 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -92.57 86.07 5.49 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -106.77 -20.97 13.18 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -129.72 88.39 2.67 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.243 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mt -140.15 -87.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.192 -0.603 . . . . 0.0 109.897 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.17 23.41 0.74 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.439 ' HB2' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -96.51 -11.38 25.56 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.481 -1.236 . . . . 0.0 114.179 -171.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.07 -41.42 75.1 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -173.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.41 -45.45 16.06 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.135 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.64 -41.71 91.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.509 -171.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' B' ' 57' ' ' MET . 85.6 t -56.18 -40.88 67.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.86 -44.11 94.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.609 0.242 . . . . 0.0 111.002 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -64.13 -34.96 79.25 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.792 0.806 . . . . 0.0 109.687 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.429 HG22 ' HD1' ' B' ' 76' ' ' PHE . 19.8 t -67.77 -42.9 86.58 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.978 176.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.7 mmt -68.33 -26.02 65.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.68 0.752 . . . . 0.0 109.974 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.99 -59.05 2.94 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.877 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -59.14 -42.4 90.58 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.59 -41.52 77.12 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.94 -35.0 57.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.42 -55.49 8.92 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.199 -0.909 . . . . 0.0 113.146 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.89 -63.65 1.1 Allowed 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.525 ' HA2' ' OG ' ' B' ' 30' ' ' SER . . . 75.35 -65.02 2.42 Favored Glycine 0 C--O 1.248 1.004 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.751 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 64.92 -59.48 0.24 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 127.237 2.215 . . . . 0.0 114.638 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.38 -36.71 1.92 Allowed Glycine 0 C--N 1.285 -2.288 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -147.79 155.36 41.59 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' B' ' 72' ' ' GLU . 17.3 t -100.99 130.9 47.05 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.76 160.33 26.24 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -63.79 -29.62 70.8 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 121.445 0.641 . . . . 0.0 109.596 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -69.14 -30.28 68.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.044 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.644 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 13.9 mm-40 -64.59 -52.79 55.73 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.704 ' CZ ' ' HG ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -58.42 -46.72 85.91 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.78 -50.26 66.48 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 123.763 0.664 . . . . 0.0 110.727 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.408 ' HA ' ' HE1' ' A' ' 70' ' ' PHE . . . -62.57 -49.5 75.04 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.98 -178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.429 ' HD1' HG22 ' B' ' 56' ' ' VAL . 70.7 m-85 -62.79 -49.08 76.37 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -176.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.642 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -68.55 -35.64 71.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.93 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.38 -37.92 63.31 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.538 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' B' ' 83' ' ' ALA 0.271 24.0 ptt? -77.09 -22.81 52.2 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 118.812 -1.155 . . . . 0.0 112.652 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.454 HG21 HD11 ' B' ' 40' ' ' LEU . 27.7 m -78.5 -40.94 24.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 C-N-CA 118.694 -1.202 . . . . 0.0 110.059 173.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.3 m -74.83 -33.28 62.14 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.277 0.561 . . . . 0.0 111.746 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.9 m -122.03 -60.35 1.58 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.699 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 74.15 141.38 0.06 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.549 1.139 . . . . 0.0 112.667 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.85 -93.73 0.03 OUTLIER 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.194 1.398 . . . . 0.0 112.618 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' B' ' 87' ' ' PHE . 38.9 t-80 -155.76 49.0 0.52 Allowed 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.81 21.74 0.2 Allowed 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.861 0.839 . . . . 0.0 110.558 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.424 ' H ' ' C ' ' B' ' 85' ' ' HIS . 51.6 m-85 -85.28 102.61 13.5 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -156.12 -34.54 0.09 Allowed 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.473 0.654 . . . . 0.0 109.404 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -88.76 -70.17 0.66 Allowed 'General case' 0 N--CA 1.426 -1.666 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.136 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -88.02 -39.7 14.45 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.471 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 38.2 mt-10 . . . . . 0 C--O 1.265 1.889 0 CA-C-O 117.391 -1.29 . . . . 0.0 108.258 -171.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -87.16 -44.49 11.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.944 0.402 . . . . 0.0 110.028 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.38 80.52 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 35.3 tt0 -55.46 -52.91 62.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.019 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.28 -40.74 82.72 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 123.624 0.577 . . . . 0.0 110.75 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -60.11 -47.79 84.42 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.398 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -66.14 -48.9 69.28 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 120.846 0.355 . . . . 0.0 110.371 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.58 -34.01 67.49 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.658 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.55 96.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.765 0.257 . . . . 0.0 110.505 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 94.4 mt -58.73 -42.2 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.296 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 pt -86.04 -25.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 38.2 t70 -80.91 -33.82 33.9 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.653 -0.654 . . . . 0.0 111.866 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.53 -34.54 70.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 172.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.64 -41.28 92.8 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.546 -1.206 . . . . 0.0 108.658 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 43.1 t60 -57.7 -46.97 83.64 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.756 1.222 . . . . 0.0 110.439 173.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 96.8 mt-30 -63.01 -40.65 98.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.912 0.485 . . . . 0.0 111.22 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -74.92 3.29 8.5 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.909 0.385 . . . . 0.0 111.746 175.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m 62.81 22.84 13.63 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 124.616 1.166 . . . . 0.0 113.328 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.75 55.52 4.89 Favored Glycine 0 C--O 1.202 -1.874 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.56 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.6 -59.67 1.99 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.64 93.62 Favored Glycine 0 C--N 1.338 0.685 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.968 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -93.64 171.14 9.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.67 71.47 5.14 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.376 0.608 . . . . 0.0 110.654 -171.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 73.08 -17.68 0.4 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.108 1.763 . . . . 0.0 112.003 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HD2' ' HB3' ' A' ' 69' ' ' ASP . 22.8 mtmt -152.26 162.43 41.15 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -95.75 142.23 28.28 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HD3' ' HG2' ' A' ' 67' ' ' GLU . 42.1 mmtm -59.45 136.33 57.94 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 173.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HE3' ' OD1' ' A' ' 63' ' ' ASP . 66.0 mttm -56.31 -36.24 68.46 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.665 -177.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.591 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 38.3 m -58.79 -30.71 67.79 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.58 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.61 -16.82 38.01 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.2 tm? -61.07 -22.46 64.63 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.591 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.76 -42.97 72.32 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.973 171.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.53 -44.2 97.49 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 122.077 0.941 . . . . 0.0 109.371 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CE2' ' A' ' 73' ' ' PHE . 1.3 tm? -60.44 -57.07 14.31 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 113.515 -1.675 . . . . 0.0 109.469 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 40' ' ' LEU . 12.3 pt -61.9 -34.68 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -64.44 -51.5 62.8 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.611 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -109.55 -71.13 0.77 Allowed 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -90.05 69.05 7.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.54 1.162 . . . . 0.0 110.984 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 36' ' ' ILE . 10.1 tt -139.14 -74.93 0.37 Allowed 'General case' 0 C--N 1.281 -2.381 0 CA-C-N 113.224 -1.807 . . . . 0.0 106.499 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 m 178.18 170.64 0.74 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -125.1 26.85 6.84 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-O 121.862 0.839 . . . . 0.0 109.275 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 75.98 131.8 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 112.972 -1.922 . . . . 0.0 113.565 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -116.49 -80.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -170.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.96 -43.6 5.73 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.286 0.565 . . . . 0.0 110.136 -174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 81' ' ' THR . 1.0 OUTLIER -85.17 117.57 24.2 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.4 mm -115.91 85.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 121.926 0.869 . . . . 0.0 109.14 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -119.32 12.18 12.44 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.452 1.12 . . . . 0.0 109.952 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -65.67 -44.17 87.08 Favored 'General case' 0 C--N 1.265 -3.065 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.48 -42.62 61.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -82.82 -48.51 10.7 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.282 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -72.25 -29.35 31.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -171.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 91.9 t -68.85 -31.17 49.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.617 0.722 . . . . 0.0 109.69 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.0 -41.34 62.02 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -65.23 -37.08 86.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.582 HG23 ' CD1' ' A' ' 76' ' ' PHE . 10.5 p -64.24 -33.64 63.88 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.084 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.4 mmt -65.62 -37.84 87.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.048 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -69.26 -61.37 1.82 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.069 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -55.51 -40.05 71.28 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.6 tp -54.85 -40.99 70.23 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.72 0.637 . . . . 0.0 111.843 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -93.46 -38.77 11.25 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.527 0.679 . . . . 0.0 111.313 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -64.48 -26.0 68.24 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.029 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.561 ' OD1' ' HE3' ' A' ' 29' ' ' LYS . 17.2 t70 -52.9 -41.11 64.08 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.19 0.519 . . . . 0.0 110.566 176.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.53 -33.25 4.65 Favored Glycine 0 C--N 1.319 -0.379 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -52.35 -54.56 30.14 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 117.313 0.557 . . . . 0.0 112.501 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' H ' ' HE2' ' A' ' 29' ' ' LYS . . . 113.99 -36.34 4.06 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.863 176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' HD3' ' A' ' 28' ' ' LYS . 36.5 mt-10 -111.5 144.99 39.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 117.89 0.845 . . . . 0.0 111.165 -175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.556 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 8.9 t -126.42 143.25 51.25 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.699 0.799 . . . . 0.0 108.874 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.627 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.3 p30 -138.24 -179.97 6.1 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.387 176.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -44.0 -34.88 1.86 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.402 1.881 . . . . 0.0 114.304 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -63.45 -45.2 91.93 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.373 0.606 . . . . 0.0 110.68 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 51.7 mt-10 -74.9 -31.97 61.7 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.543 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 77' ' ' VAL . 5.5 m-85 -55.94 -49.13 74.38 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -52.37 59.53 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.169 0.918 . . . . 0.0 110.565 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.44 -51.47 69.73 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.404 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' CD1' HG23 ' A' ' 56' ' ' VAL . 52.0 m-85 -63.64 -49.15 74.39 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.346 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 73' ' ' PHE . 13.6 p -64.36 -36.93 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -178.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -39.31 72.46 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.982 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.506 ' HA ' ' HA ' ' A' ' 83' ' ' ALA 0.262 24.5 ptt? -79.41 -33.32 42.73 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 117.645 -1.622 . . . . 0.0 113.327 -178.454 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.55 -39.28 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 119.405 -0.918 . . . . 0.0 111.39 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 9.5 m -85.73 -65.58 1.0 Allowed 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.553 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.7 m -87.61 -35.09 18.26 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.229 -170.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 79' ' ' MET . . . 65.89 25.76 11.14 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.019 1.327 . . . . 0.0 111.035 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.2 m 72.28 -37.47 0.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.817 1.647 . . . . 0.0 114.477 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -97.65 50.15 1.04 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.811 -0.556 . . . . 0.0 112.17 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . 0.275 8.0 mm-40 -138.52 93.76 2.77 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -135.66 14.44 3.41 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -111.82 -54.91 2.57 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.019 -0.992 . . . . 0.0 110.872 -174.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -88.94 -29.01 19.89 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 41.2 t-80 -67.92 -82.94 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 169.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 4.4 mm-40 . . . . . 0 C--O 1.256 1.412 0 C-N-CA 129.996 3.319 . . . . 0.0 103.793 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.542 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.86 -45.79 18.02 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.039 0.447 . . . . 0.0 109.96 -171.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.79 -35.99 81.37 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' B' ' 1' ' ' SER . 33.4 tt0 -54.57 -53.0 60.33 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 126.042 1.737 . . . . 0.0 111.157 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.414 ' HA ' HG12 ' B' ' 8' ' ' VAL . 52.4 mtmt -59.76 -42.1 92.49 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 123.779 0.674 . . . . 0.0 110.677 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.13 84.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -66.01 -47.16 75.39 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 120.891 0.376 . . . . 0.0 110.197 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 5' ' ' LYS . 14.8 p -66.75 -36.19 76.63 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.801 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.5 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -60.86 -41.99 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.005 0.366 . . . . 0.0 110.795 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.22 -42.75 95.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.323 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.63 -25.54 6.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 30.2 t70 -76.96 -37.42 55.28 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 122.082 -0.386 . . . . 0.0 111.413 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -65.08 -42.37 94.18 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.421 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 29.8 t60 -57.55 -46.73 83.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.834 1.254 . . . . 0.0 110.656 173.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 96.7 mt-30 -64.22 -39.48 94.06 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.902 0.481 . . . . 0.0 111.304 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.09 3.3 8.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.147 0.498 . . . . 0.0 111.628 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 45.3 m 61.92 25.79 15.53 Favored 'General case' 0 C--O 1.245 0.868 0 C-N-CA 124.971 1.308 . . . . 0.0 112.965 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.12 52.94 4.7 Favored Glycine 0 C--O 1.205 -1.685 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.45 -35.84 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -107.07 -58.32 1.96 Allowed 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.32 -51.99 52.6 Favored Glycine 0 CA--C 1.501 -0.826 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.688 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.84 173.77 9.19 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 72.21 8.01 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.207 0.527 . . . . 0.0 110.557 -171.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 72.59 -16.88 0.42 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.891 1.676 . . . . 0.0 111.9 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.625 ' HD2' ' HB3' ' B' ' 69' ' ' ASP . 26.2 mtmt -154.03 161.54 41.86 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 -177.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 tp -95.1 142.52 27.46 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 118.308 0.504 . . . . 0.0 109.815 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.508 ' HD3' ' HG2' ' B' ' 67' ' ' GLU . 42.5 mmtm -58.65 137.27 57.64 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.356 173.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.53 ' HG2' ' HB2' ' B' ' 68' ' ' CYS . 63.3 mttm -58.43 -36.46 73.68 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.692 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.629 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 20.6 m -59.18 -29.57 67.56 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.578 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -85.4 -17.02 37.89 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' B' ' 35' ' ' LEU . 3.3 tm? -61.01 -22.83 64.91 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.629 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.69 -41.31 70.1 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.956 171.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.76 -43.49 96.25 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.751 0.786 . . . . 0.0 110.096 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.485 ' HG ' ' CE2' ' B' ' 73' ' ' PHE . 1.4 tm? -59.91 -55.61 32.02 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.362 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.02 -35.53 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.88 -37.5 73.02 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -115.03 -76.3 0.58 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -85.56 67.0 9.95 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 122.509 1.147 . . . . 0.0 111.733 -173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tt -136.26 -70.97 0.46 Allowed 'General case' 0 C--N 1.279 -2.491 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 173.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.2 t 169.66 177.84 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -128.41 28.72 5.42 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.715 0.769 . . . . 0.0 110.077 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 75.2 125.79 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.269 168.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.84 -84.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.07 -43.14 7.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.828 0.823 . . . . 0.0 110.436 -173.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.57 111.72 18.82 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -113.28 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-O 121.491 0.662 . . . . 0.0 109.246 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -120.01 5.93 10.85 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.209 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -43.78 88.34 Favored 'General case' 0 C--N 1.273 -2.756 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -171.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -49.99 -44.77 51.12 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.47 -46.71 12.17 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.058 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.98 -31.31 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' B' ' 57' ' ' MET . 98.6 t -67.4 -30.46 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 122.046 0.927 . . . . 0.0 109.323 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.43 -44.02 63.01 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.875 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -66.92 -33.87 76.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.435 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' B' ' 76' ' ' PHE . 11.2 p -64.98 -35.11 74.66 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -65.7 -30.61 71.31 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.296 0.57 . . . . 0.0 110.25 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.16 -61.29 2.05 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.01 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.9 p -54.72 -39.54 68.33 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.507 0.723 . . . . 0.0 112.863 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 tp -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.281 0.562 . . . . 0.0 112.131 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -98.6 -32.75 11.27 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.449 0.643 . . . . 0.0 111.24 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.72 -26.15 62.36 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.915 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.493 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 17.4 t70 -53.23 -45.8 68.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 121.176 0.512 . . . . 0.0 109.858 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.55 -27.43 12.22 Favored Glycine 0 C--O 1.238 0.348 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.21 -49.26 69.83 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 117.504 0.652 . . . . 0.0 112.261 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.37 -32.51 6.94 Favored Glycine 0 N--CA 1.428 -1.835 0 C-N-CA 120.651 -0.785 . . . . 0.0 114.213 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.508 ' HG2' ' HD3' ' B' ' 28' ' ' LYS . 46.9 mt-10 -116.76 139.72 50.25 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 118.037 0.919 . . . . 0.0 111.378 -175.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.53 ' HB2' ' HG2' ' B' ' 29' ' ' LYS . 8.9 t -120.86 145.24 47.83 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.625 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 2.9 p30 -139.87 179.09 6.8 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -44.62 -34.28 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.061 1.744 . . . . 0.0 114.884 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -63.74 -44.34 93.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.419 0.628 . . . . 0.0 109.922 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 46.7 mt-10 -75.58 -32.68 60.46 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.583 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.554 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.7 m-85 -55.55 -48.31 74.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -52.51 62.34 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.254 0.971 . . . . 0.0 110.55 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.99 -52.19 66.55 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.211 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.589 ' CD1' HG23 ' B' ' 56' ' ' VAL . 53.9 m-85 -63.38 -50.15 71.04 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.496 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.554 HG12 ' O ' ' B' ' 73' ' ' PHE . 14.1 p -63.62 -37.42 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.667 0.27 . . . . 0.0 111.467 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.35 71.88 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.264 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' B' ' 83' ' ' ALA . 26.0 ptt? -79.65 -32.9 41.63 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 117.799 -1.56 . . . . 0.0 113.119 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -67.58 -39.52 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.329 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 10.0 m -85.84 -66.15 0.93 Allowed 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.462 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 m -88.68 -31.54 18.44 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.388 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 79' ' ' MET . . . 63.27 27.62 15.51 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.642 1.177 . . . . 0.0 111.058 -175.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.4 m 69.06 -27.66 0.15 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.635 1.574 . . . . 0.0 115.218 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -101.82 27.71 6.26 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.269 14.8 mm-40 -118.73 96.79 5.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -136.73 15.45 3.12 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -116.48 -48.85 2.68 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.275 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.28 -28.26 18.91 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' B' ' 91' ' ' GLU . 44.4 t-80 -69.02 -82.48 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 90' ' ' HIS . 4.9 mm-40 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 129.898 3.279 . . . . 0.0 104.035 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 3.0 m . . . . . 0 C--O 1.241 0.655 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -74.33 -51.68 14.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -170.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' B' ' 39' ' ' GLU . 1.1 tm? -68.78 -34.92 76.38 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 29.3 tt0 -52.6 -56.11 17.67 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.613 1.565 . . . . 0.0 111.933 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -24.25 67.62 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.37 -42.89 71.19 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 176.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.507 ' SD ' HG22 ' B' ' 77' ' ' VAL . 51.4 ttp -63.14 -41.51 99.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.028 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.6 t -59.37 -44.81 93.32 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.997 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.86 99.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.127 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 92.4 mt -59.19 -44.0 92.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.665 0.269 . . . . 0.0 111.247 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -80.22 -32.15 13.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 16.5 t70 -72.43 -31.11 65.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.628 0.727 . . . . 0.0 110.75 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HA ' HE21 ' A' ' 16' ' ' GLN . 42.9 t -69.03 -39.41 79.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.82 -49.35 78.05 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.057 175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' ND1' ' HG3' ' B' ' 91' ' ' GLU . 10.1 t60 -44.7 -45.46 9.81 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.77 2.028 . . . . 0.0 112.365 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 HE21 ' HA ' ' A' ' 13' ' ' VAL . 46.5 mt-30 -65.73 -47.16 76.26 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -176.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.512 ' OH ' ' HG2' ' A' ' 24' ' ' LYS 0.315 1.8 p90 36.69 -128.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.6 m -157.79 -60.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.754 0.422 . . . . 0.0 110.847 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.47 116.5 4.28 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 121.018 -0.61 . . . . 0.0 113.175 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -21.47 66.35 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -101.76 -56.4 2.29 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.676 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.05 -54.03 8.59 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.751 -0.659 . . . . 0.0 114.217 -174.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -78.56 -17.73 55.69 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 121.352 0.596 . . . . 0.0 111.071 -173.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 5.1 tmtm? -71.83 -41.76 67.8 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.6 -56.15 15.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.758 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HD2' ' HB3' ' A' ' 67' ' ' GLU . 48.4 mtmt -145.31 153.5 41.33 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.13 -41.18 74.28 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.642 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER 73.93 134.24 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.81 1.244 . . . . 0.0 111.697 -173.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' HG ' ' A' ' 60' ' ' LEU . 13.9 mptt -62.73 -36.97 84.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 3.9 m -59.41 -35.01 73.18 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.871 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -85.58 -22.21 28.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.639 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.21 -29.94 70.74 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.6 tmmt? -55.78 -46.23 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 173.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -76.11 -30.7 58.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.14 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -51.45 69.92 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 175.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 32' ' ' LEU . 18.2 pt -68.25 -40.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -51.14 -37.3 45.37 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.79 -46.43 4.7 Favored 'General case' 0 N--CA 1.433 -1.294 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.786 -177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -93.14 -15.61 25.81 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -173.003 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 3.7 tt -79.74 -65.07 1.05 Allowed 'General case' 0 C--O 1.204 -1.321 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -165.06 146.88 7.82 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -103.22 -58.34 1.89 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.537 175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -124.51 52.38 1.53 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.891 0.853 . . . . 0.0 113.123 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.39 30.06 7.4 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HA ' ' CD ' ' A' ' 49' ' ' GLU . 34.0 mt-10 -85.72 25.99 1.02 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.158 -174.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -114.03 8.31 17.05 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.784 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.3 mt -104.84 -85.01 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -167.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -154.58 17.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 0.0 109.24 -173.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' CD ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -95.05 -12.95 25.66 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -171.251 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -55.41 -39.52 70.32 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.83 -42.99 17.17 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.868 0.842 . . . . 0.0 111.221 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 2.4 t -75.74 -25.48 17.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.534 -169.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 56' ' ' VAL . 71.6 t -65.93 -39.87 85.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.565 175.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.78 -35.68 79.11 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.508 -0.877 . . . . 0.0 109.38 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' N ' ' HE3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -67.41 -37.41 83.01 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.152 177.492 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.723 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 9.0 p -67.75 -36.3 75.49 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.146 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -69.13 -37.63 78.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.364 0.602 . . . . 0.0 109.998 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -66.47 -54.09 28.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.993 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.9 p -62.4 -39.84 94.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.498 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.723 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 9.9 tp -46.56 -49.31 18.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.149 1.379 . . . . 0.0 109.924 176.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -83.18 -45.41 13.94 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.753 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -76.52 -34.18 58.59 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -172.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.69 -55.21 28.88 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -170.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.62 -139.32 5.42 Favored Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 117.284 -2.389 . . . . 0.0 116.091 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.87 157.57 7.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.245 . . . . 0.0 113.099 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -95.44 46.87 1.95 Allowed Glycine 0 N--CA 1.408 -3.231 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.352 -172.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 11.0 pt-20 -112.13 152.03 28.77 Favored 'General case' 0 C--N 1.27 -2.878 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 167.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.8 m -130.35 118.55 21.42 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.116 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' O ' ' HD1' ' A' ' 73' ' ' PHE . 34.1 t70 -98.21 160.13 14.49 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.215 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' B' ' 78' ' ' ALA . 42.1 p90 -57.03 -31.46 65.17 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.112 0.565 . . . . 0.0 111.543 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.06 -36.5 83.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.756 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.17 -39.2 65.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.536 ' O ' HG12 ' A' ' 77' ' ' VAL . 22.7 m-85 -51.53 -59.02 4.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.665 0.603 . . . . 0.0 111.164 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -43.65 89.69 Favored 'General case' 0 C--O 1.243 0.714 0 O-C-N 123.909 0.756 . . . . 0.0 111.798 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.56 65.18 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.183 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 56' ' ' VAL . 37.9 m-85 -60.95 -55.76 29.1 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.168 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG22 ' SD ' ' B' ' 7' ' ' MET . 7.3 p -59.28 -46.35 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -175.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB3' ' CE1' ' B' ' 70' ' ' PHE . . . -77.39 -26.95 52.3 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.085 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -80.75 -31.72 35.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 118.178 -1.409 . . . . 0.0 111.107 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.494 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 33.6 m -72.47 -39.82 62.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.122 0 C-N-CA 119.642 -0.823 . . . . 0.0 111.219 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -83.81 -23.86 31.24 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -147.09 -56.81 0.25 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -172.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.52 60.43 1.37 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 110.973 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' HA ' ' CE2' ' A' ' 87' ' ' PHE . 20.8 m 60.1 -91.47 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.753 1.221 . . . . 0.0 111.405 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 33.25 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 175.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 50.1 mt-10 -86.18 24.52 1.32 Allowed 'General case' 0 C--O 1.257 1.492 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -168.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 84' ' ' CYS . 20.5 m-85 -75.99 71.36 2.77 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.823 0.82 . . . . 0.0 109.674 172.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 86' ' ' GLU . 44.5 p90 -167.95 -32.25 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 125.321 1.448 . . . . 0.0 108.58 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.84 -65.3 1.03 Allowed 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -82.54 -49.97 9.32 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 172.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG3' ' ND1' ' B' ' 15' ' ' HIS 0.301 8.5 pt-20 . . . . . 0 C--O 1.254 1.32 0 O-C-N 125.755 1.909 . . . . 0.0 109.808 -170.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 2.2 m . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 4.2 tp10 -73.78 -49.75 23.86 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -171.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 39' ' ' GLU . 1.1 tm? -69.51 -34.36 74.18 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.65 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 29.4 tt0 -54.5 -53.67 51.28 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.265 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -62.93 -26.25 68.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -71.08 -42.04 69.9 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.545 ' SD ' HG22 ' A' ' 77' ' ' VAL . 53.3 ttp -62.96 -42.01 99.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.664 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 4' ' ' GLU . 66.8 t -59.15 -44.64 92.16 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.999 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.974 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.55 98.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.307 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 94.0 mt -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.739 0.304 . . . . 0.0 111.056 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.4 pt -80.13 -30.52 12.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 12.7 t70 -72.42 -32.42 66.33 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 121.544 0.688 . . . . 0.0 109.559 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.416 ' HA ' HE21 ' B' ' 16' ' ' GLN . 44.1 t -68.41 -41.15 83.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.359 173.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.02 -49.73 76.79 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.003 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.522 ' ND1' ' HG3' ' A' ' 91' ' ' GLU . 9.1 t60 -44.94 -45.28 10.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.51 1.924 . . . . 0.0 112.164 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.416 HE21 ' HA ' ' B' ' 13' ' ' VAL . 51.1 mt-30 -62.25 -50.84 70.13 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.419 ' OH ' ' HG2' ' B' ' 24' ' ' LYS 0.286 2.1 p90 37.33 -135.18 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -175.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 62.1 m -151.15 -64.98 0.19 Allowed 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.741 -0.599 . . . . 0.0 110.587 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.0 115.74 4.59 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.829 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -20.31 66.44 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 123.272 0.629 . . . . 0.0 112.666 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -101.64 -58.59 1.85 Allowed 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.8 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.24 -54.51 13.22 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 114.418 0.527 . . . . 0.0 114.418 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -77.73 -15.84 58.85 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 121.284 0.564 . . . . 0.0 111.049 -173.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.501 ' HD3' ' O ' ' B' ' 24' ' ' LYS . 4.7 tmtm? -75.57 -36.76 60.29 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -69.7 -52.8 22.39 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.879 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' B' ' 67' ' ' GLU . 51.9 mtmt -148.56 155.09 40.67 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 173.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -72.08 -41.36 67.44 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.1 OUTLIER 74.48 136.85 0.06 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.914 1.286 . . . . 0.0 111.767 -173.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.445 ' HB3' ' HG ' ' B' ' 60' ' ' LEU . 13.4 mptt -65.14 -37.07 86.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.241 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 9.5 m -62.95 -32.69 74.06 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.063 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -85.4 -21.91 28.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.427 0.632 . . . . 0.0 110.282 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.504 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.95 -28.85 70.36 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.474 ' HD2' ' HG3' ' B' ' 34' ' ' GLU . 2.4 tmmt? -55.22 -47.45 75.32 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 110.795 173.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.474 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 46.4 mt-10 -76.74 -29.11 56.02 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.014 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -51.69 68.64 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.504 HG12 ' O ' ' B' ' 32' ' ' LEU . 18.0 pt -68.75 -40.78 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -49.54 -36.68 24.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.4 1.08 . . . . 0.0 111.833 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -104.63 -52.68 2.84 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -88.03 -14.48 38.89 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -171.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.647 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 3.9 tt -79.99 -64.7 1.13 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -162.5 147.54 12.29 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -103.95 -49.82 3.54 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.07 174.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -127.74 34.96 4.56 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.32 30.36 2.86 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.767 0.794 . . . . 0.0 109.022 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' CD ' ' B' ' 49' ' ' GLU . 43.0 mt-10 -84.87 28.04 0.71 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.743 -176.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.16 13.15 15.69 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.141 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mt -108.71 -91.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -147.59 16.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.487 1.136 . . . . 0.0 109.122 -174.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -89.08 -21.45 23.4 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -170.531 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -53.41 -39.5 64.36 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.83 -43.79 17.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.879 0.847 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 2.6 t -75.55 -25.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.314 -170.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.531 ' O ' HG12 ' B' ' 56' ' ' VAL . 75.9 t -65.89 -37.96 81.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.288 0.566 . . . . 0.0 110.027 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.64 -37.54 76.81 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.432 ' HE3' ' N ' ' B' ' 55' ' ' LYS . 0.4 OUTLIER -66.61 -36.66 83.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.182 178.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.756 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 7.7 p -67.75 -35.71 73.47 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.491 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -70.69 -36.51 73.32 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.411 0.624 . . . . 0.0 110.012 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.75 -57.1 9.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.298 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.0 p -61.8 -39.79 92.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.307 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.756 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 10.7 tp -48.0 -39.31 19.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.949 1.299 . . . . 0.0 110.794 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.68 -39.71 9.76 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.226 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -78.17 -34.33 49.67 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.22 -48.99 75.95 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -168.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.34 -132.58 2.54 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 117.227 -2.416 . . . . 0.0 116.007 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -71.96 159.85 33.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.451 0.7 . . . . 0.0 112.094 -172.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -93.29 45.28 2.43 Favored Glycine 0 N--CA 1.412 -2.911 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.882 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.499 ' HB3' ' HD2' ' B' ' 26' ' ' LYS . 13.5 pt-20 -109.21 151.19 26.83 Favored 'General case' 0 C--N 1.268 -2.976 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.437 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 61.7 m -130.67 117.71 19.88 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.572 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.43 ' O ' ' HD1' ' B' ' 73' ' ' PHE . 16.1 t70 -95.54 160.48 14.49 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 78' ' ' ALA . 34.8 p90 -58.13 -31.0 66.77 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.174 0.59 . . . . 0.0 111.284 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -65.53 -36.48 83.93 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.509 177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 39.7 mt-10 -73.49 -39.73 64.64 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.531 ' O ' HG12 ' B' ' 77' ' ' VAL . 23.5 m-85 -51.63 -59.43 4.28 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.799 0.687 . . . . 0.0 111.256 175.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -42.99 87.86 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 123.808 0.693 . . . . 0.0 111.76 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.09 50.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.036 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.607 ' CD1' HG23 ' B' ' 56' ' ' VAL . 38.6 m-85 -59.86 -55.72 30.73 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.125 -178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.537 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.3 p -59.53 -46.88 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.41 ' HB3' ' CE1' ' A' ' 70' ' ' PHE . . . -77.23 -24.12 51.25 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.03 -176.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -83.39 -34.12 25.62 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 118.445 -1.302 . . . . 0.0 111.028 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.51 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 33.3 m -70.3 -39.08 76.26 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.203 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 m -83.94 -23.26 31.19 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.701 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.9 m -150.04 -56.16 0.17 Allowed 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 63.59 59.63 1.18 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.216 1.006 . . . . 0.0 111.845 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 m 62.41 -93.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 35.93 -90.28 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 174.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.479 ' HA ' ' CE2' ' B' ' 88' ' ' PHE . 59.0 mt-10 -84.32 23.64 1.07 Allowed 'General case' 0 C--O 1.255 1.364 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -169.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -75.84 75.25 2.78 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.842 0.829 . . . . 0.0 110.443 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' B' ' 86' ' ' GLU . 49.3 p90 -173.83 -28.47 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 125.945 1.698 . . . . 0.0 108.468 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -83.46 -69.57 0.62 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -80.65 -48.07 13.17 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.544 ' HG3' ' ND1' ' A' ' 15' ' ' HIS 0.281 9.0 pt-20 . . . . . 0 C--O 1.246 0.914 0 O-C-N 125.789 1.931 . . . . 0.0 109.408 -169.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.431 -1.405 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.46 -42.81 24.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.53 -34.12 75.3 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -44.42 -60.48 1.93 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.601 1.16 . . . . 0.0 110.481 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -79.71 -21.01 45.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.547 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -68.41 -45.51 72.43 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.525 176.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.442 ' HG3' HG22 ' B' ' 77' ' ' VAL . 17.2 tmm? -59.95 -41.91 92.9 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.305 0.574 . . . . 0.0 109.7 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.31 -37.18 77.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.541 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.26 85.03 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.1 mp -59.42 -35.16 73.47 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-O 121.235 0.541 . . . . 0.0 110.524 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.91 -45.14 22.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.201 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.8 t70 -65.84 -38.11 88.0 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -68.87 -34.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.187 0.518 . . . . 0.0 109.85 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -68.74 -39.77 80.17 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 11.0 t60 -56.33 -40.2 74.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.617 1.967 . . . . 0.0 110.854 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 16.1 mm100 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -86.47 150.83 24.0 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.329 0.585 . . . . 0.0 112.075 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -73.4 37.67 0.09 Allowed 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 125.318 1.447 . . . . 0.0 114.854 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.3 -8.67 3.19 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.256 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -57.76 -18.93 24.39 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -132.89 -50.63 0.89 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 121.97 -0.456 . . . . 0.0 110.293 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.6 75.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.588 ' HB3' ' O ' ' A' ' 26' ' ' LYS . 14.1 t70 -87.31 -96.44 0.09 Allowed 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.412 -0.915 . . . . 0.0 112.132 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 24.0 tptm -117.42 22.47 12.41 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.1 t60 71.51 13.49 6.43 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.282 -1.781 . . . . 0.0 106.896 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 53.8 mtmt -163.99 -177.58 5.14 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 31' ' ' GLU . 8.6 mp -111.02 147.42 34.8 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 119.485 1.039 . . . . 0.0 110.019 -173.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -65.83 163.0 17.71 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 168.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 99.4 mttt -67.98 -29.72 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.438 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 15.7 m -65.4 -22.89 66.84 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 120.903 0.382 . . . . 0.0 110.946 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 27' ' ' LEU . 16.9 mm-40 -85.91 -28.45 24.34 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.791 0.805 . . . . 0.0 109.847 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.1 tm? -60.85 -22.65 64.45 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.754 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HE3' ' O ' ' A' ' 30' ' ' SER . 3.1 ttmt -52.23 -50.94 61.01 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.481 175.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.59 -39.02 93.32 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.906 0.86 . . . . 0.0 110.107 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.632 HD21 ' CE2' ' A' ' 73' ' ' PHE . 26.4 tp -63.71 -51.21 66.01 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.522 -178.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.6 pt -68.34 -25.55 31.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -55.6 -37.71 68.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.581 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -112.73 -61.23 1.76 Allowed 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.03 71.89 10.15 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 123.022 1.392 . . . . 0.0 112.385 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 77' ' ' VAL . 4.9 tt -131.01 -64.91 0.8 Allowed 'General case' 0 C--N 1.272 -2.786 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 173.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.4 m -166.73 55.44 0.09 Allowed 'General case' 0 C--O 1.245 0.854 0 C-N-CA 125.266 1.426 . . . . 0.0 107.849 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.5 m80 70.36 -67.95 0.22 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.919 1.288 . . . . 0.0 112.949 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -134.51 -80.52 0.45 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 57.4 mt 59.09 98.72 0.02 OUTLIER 'General case' 0 C--N 1.341 0.203 0 O-C-N 124.637 1.211 . . . . 0.0 110.776 -173.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -135.51 -9.63 2.17 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.1 10.57 5.87 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -171.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 48' ' ' LYS . 3.1 mp -113.88 -72.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 C-N-CA 118.473 -1.291 . . . . 0.0 113.244 -170.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HG2' HG22 ' A' ' 47' ' ' ILE . 13.9 mmmm -123.77 -52.06 1.8 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 122.778 1.275 . . . . 0.0 109.381 -175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -56.5 -29.43 61.8 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.063 2.545 . . . . 0.0 114.024 -173.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -55.87 -22.14 23.84 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -81.22 -47.29 13.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.466 HG12 HG23 ' A' ' 56' ' ' VAL . 22.0 t -85.43 -26.91 6.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -169.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 57' ' ' MET . 78.1 t -55.44 -43.72 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.092 0.406 . . . . 0.0 111.705 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 30.7 t70 -63.79 -44.82 92.22 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -62.58 -34.28 76.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.053 0.941 . . . . 0.0 110.514 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 52' ' ' VAL . 5.0 t -68.33 -41.76 83.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 C-N-CA 124.748 1.219 . . . . 0.0 110.57 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -67.42 -29.65 69.2 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.042 0.448 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 54' ' ' ASP . 37.6 mm-40 -66.99 -58.24 5.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.857 173.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -59.5 -41.51 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.09 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 2.8 mp -50.35 -51.98 41.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.418 0.687 . . . . 0.0 111.248 175.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.44 -43.55 60.09 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.836 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -72.23 -49.22 36.9 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.736 -176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.91 -44.63 8.8 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.32 49.84 3.99 Favored Glycine 0 CA--C 1.499 -0.931 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -168.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -80.84 -23.85 38.84 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.583 0.706 . . . . 0.0 109.813 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.74 -56.78 3.24 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.469 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB3' ' HG2' ' A' ' 24' ' ' LYS . 10.0 pt-20 -178.4 179.97 0.73 Allowed 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.584 0.753 . . . . 0.0 110.565 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -136.05 121.79 19.75 Favored 'General case' 0 CA--C 1.48 -1.721 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -90.61 171.13 9.6 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -74.7 -17.46 60.66 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -70.23 -35.41 73.84 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 118.949 -1.101 . . . . 0.0 109.494 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -77.26 -30.31 54.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CE2' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.53 -51.95 51.01 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 171.145 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.8 -51.67 68.32 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.325 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.93 -51.77 54.73 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.01 -49.93 70.5 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.5 p -67.5 -32.56 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.408 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.87 29.92 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.832 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -67.0 -40.77 87.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 40' ' ' LEU . 34.2 m -62.38 -31.78 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 120.266 -0.574 . . . . 0.0 111.441 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 m -84.12 -36.13 23.17 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.861 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 p -94.45 -22.17 18.45 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -35.58 99.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 85' ' ' HIS . 24.5 p 169.87 -48.88 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 126.918 2.087 . . . . 0.0 106.361 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 84' ' ' CYS . 3.0 m170 -157.48 -166.49 2.04 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 102.204 -3.258 . . . . 0.0 102.204 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.26 -66.87 0.9 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 119.062 0.846 . . . . 0.0 109.723 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 2.9 m-85 -103.82 83.05 2.07 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.16 -87.16 0.64 Allowed 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.165 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -90.98 61.06 4.53 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 122.131 0.967 . . . . 0.0 111.551 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 178.2 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.269 -2.93 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.513 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 44.9 tt0 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 42.9 m . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.05 -43.93 32.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.79 -33.18 70.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' B' ' 1' ' ' SER . 8.4 tp10 -46.28 -57.01 4.96 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.708 1.203 . . . . 0.0 110.662 176.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -83.06 -21.6 33.72 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.503 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -66.29 -47.23 74.3 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 122.982 0.176 . . . . 0.0 110.901 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.426 ' HG3' HG22 ' A' ' 77' ' ' VAL . 17.0 tmm? -58.19 -41.93 85.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.35 0.595 . . . . 0.0 110.021 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.34 -37.48 78.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.724 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.41 89.56 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.503 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.2 mp -59.93 -34.66 73.54 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.196 0.522 . . . . 0.0 110.526 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.0 mt -80.42 -45.75 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.316 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 38.5 t70 -66.93 -36.54 82.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -176.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.4 -33.56 58.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.83 -39.07 76.69 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 7.8 t60 -57.68 -41.32 81.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.186 1.794 . . . . 0.0 110.73 174.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 16.3 mm100 -64.43 -35.13 79.93 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.069 0.548 . . . . 0.0 112.288 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -73.82 149.78 41.43 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.382 0.611 . . . . 0.0 112.631 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -75.18 50.51 0.49 Allowed 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 124.349 1.06 . . . . 0.0 113.72 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.16 -2.44 0.99 Allowed Glycine 0 C--N 1.312 -0.79 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.563 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -16.45 58.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.681 0.792 . . . . 0.0 112.934 -175.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -134.11 -55.69 0.86 Allowed 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.77 72.88 Favored Glycine 0 C--N 1.319 -0.404 0 N-CA-C 116.281 1.272 . . . . 0.0 116.281 -173.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.595 ' HB3' ' O ' ' B' ' 26' ' ' LYS . 14.5 t70 -79.31 -90.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.957 0.879 . . . . 0.0 112.773 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.519 ' HG2' ' HB3' ' B' ' 67' ' ' GLU . 24.1 tptm -122.33 18.53 10.62 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 176.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 61.2 t60 75.11 11.9 3.48 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.755 -169.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.595 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 52.8 mtmt -164.5 179.65 6.56 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' B' ' 31' ' ' GLU . 8.3 mp -108.25 147.89 30.75 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 119.506 1.048 . . . . 0.0 110.167 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -65.65 162.37 18.55 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 168.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 99.5 mttt -67.73 -30.47 69.96 Favored 'General case' 0 C--O 1.214 -0.789 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.487 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.535 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 15.9 m -64.29 -23.7 67.39 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 27' ' ' LEU . 11.4 mm-40 -85.76 -31.07 22.58 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.653 0.74 . . . . 0.0 109.628 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.503 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -58.77 -23.24 59.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.694 1.198 . . . . 0.0 109.041 175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -52.15 -48.03 65.13 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 124.761 1.224 . . . . 0.0 111.913 175.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.58 -34.97 74.91 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.813 0.816 . . . . 0.0 110.453 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.645 HD21 ' CE2' ' B' ' 73' ' ' PHE . 26.4 tp -64.71 -50.33 67.36 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.041 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.5 pt -68.24 -24.52 29.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -55.77 -38.59 70.09 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.438 174.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -112.97 -60.45 1.88 Allowed 'General case' 0 C--O 1.25 1.08 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.19 71.92 10.01 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.043 1.401 . . . . 0.0 111.959 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.523 ' HG ' HG23 ' B' ' 77' ' ' VAL . 4.6 tt -131.98 -64.75 0.77 Allowed 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 103.649 -2.723 . . . . 0.0 103.649 173.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.1 m -165.41 52.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.946 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 70.9 m80 71.45 -65.92 0.32 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.615 1.166 . . . . 0.0 112.015 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.93 -79.96 0.44 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.437 ' HB3' ' HG3' ' B' ' 49' ' ' GLU . 52.4 mt 59.37 97.99 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.618 1.199 . . . . 0.0 110.858 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -134.51 -5.82 2.56 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.099 -0.376 . . . . 0.0 111.695 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -135.85 9.96 3.34 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.538 HG22 ' HG2' ' B' ' 48' ' ' LYS . 2.9 mp -113.75 -76.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 C-N-CA 117.717 -1.593 . . . . 0.0 112.143 -171.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.538 ' HG2' HG22 ' B' ' 47' ' ' ILE . 14.3 mmmm -118.53 -51.99 2.38 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 122.43 1.109 . . . . 0.0 109.548 -174.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.47 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -57.71 -30.46 65.53 Favored 'General case' 0 C--N 1.282 -2.364 0 C-N-CA 128.022 2.529 . . . . 0.0 113.861 -173.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -53.57 -24.45 13.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -80.88 -46.84 14.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.469 HG12 HG23 ' B' ' 56' ' ' VAL . 19.8 t -85.69 -28.73 6.26 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.524 -170.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' B' ' 57' ' ' MET . 76.2 t -54.75 -43.73 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-N 118.15 0.432 . . . . 0.0 111.726 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.96 -45.91 90.23 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 121.379 0.609 . . . . 0.0 110.749 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -62.6 -34.02 76.17 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.146 0.978 . . . . 0.0 110.386 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.469 HG23 HG12 ' B' ' 52' ' ' VAL . 4.6 t -68.51 -41.16 82.95 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.587 0 C-N-CA 124.663 1.185 . . . . 0.0 110.664 174.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.9 mmt -64.61 -36.39 84.08 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.464 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -63.24 -56.82 13.44 Favored 'General case' 0 CA--C 1.513 -0.453 0 O-C-N 123.954 0.784 . . . . 0.0 110.481 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.4 p -60.31 -40.68 91.44 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.796 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 3.1 mp -52.77 -51.59 60.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.22 0.608 . . . . 0.0 111.289 173.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.51 -46.27 66.93 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.287 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -74.28 -49.64 22.27 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.771 -176.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.51 -47.84 8.03 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.422 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -83.93 54.69 4.97 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 116.243 1.257 . . . . 0.0 116.243 -168.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -84.51 -25.61 28.7 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.688 0.756 . . . . 0.0 109.432 175.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.62 -55.56 3.87 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.911 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HB3' ' HG2' ' B' ' 24' ' ' LYS . 9.8 pt-20 -179.34 -177.91 0.47 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.939 0.896 . . . . 0.0 110.923 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.4 ' SG ' ' HG ' ' B' ' 32' ' ' LEU . 47.3 t -137.88 124.15 20.53 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 105.41 -2.071 . . . . 0.0 105.41 172.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -93.59 171.79 8.67 Favored 'General case' 0 C--N 1.278 -2.535 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -75.18 -17.64 60.33 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 122.656 0.382 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.2 -34.84 71.23 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.305 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.69 -31.25 57.11 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.645 ' CE2' HD21 ' B' ' 35' ' ' LEU . 0.4 OUTLIER -51.11 -52.78 40.42 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 171.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -50.91 71.81 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.13 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.45 -51.45 59.22 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -64.81 -49.6 70.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.579 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.3 p -67.9 -31.6 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-O 120.961 0.41 . . . . 0.0 111.376 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.71 -51.72 38.52 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.061 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -68.83 -40.79 79.28 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.48 HG21 HD11 ' B' ' 40' ' ' LEU . 31.2 m -61.48 -31.48 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-O 121.213 0.53 . . . . 0.0 111.41 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 90.0 m -82.78 -45.78 13.94 Favored 'General case' 0 N--CA 1.421 -1.88 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.533 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.1 p -87.35 -18.21 30.62 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -173.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -38.77 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.093 1.357 . . . . 0.0 114.411 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 21.0 p 166.06 -44.58 0.0 OUTLIER 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 127.528 2.331 . . . . 0.0 106.08 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -162.49 -162.6 0.82 Allowed 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 103.625 -2.731 . . . . 0.0 103.625 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -58.14 1.95 Allowed 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 118.834 0.743 . . . . 0.0 111.396 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -115.43 79.3 1.27 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.448 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 43.9 t80 -116.66 -87.57 0.61 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.448 ' HG3' ' CD2' ' B' ' 88' ' ' PHE . 47.7 mt-10 -94.49 69.23 3.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 122.117 0.961 . . . . 0.0 111.12 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 170.62 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 112.376 -2.193 . . . . 0.0 107.196 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 -171.234 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 18.5 m . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.957 0.408 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -50.19 63.21 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.13 -33.63 74.83 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.161 0.505 . . . . 0.0 111.6 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 1' ' ' SER . 37.1 tt0 -55.89 -53.7 53.63 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 113.989 -1.46 . . . . 0.0 109.561 176.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.94 -34.64 69.19 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.22 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.69 -59.57 4.42 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.749 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -57.32 -41.89 80.81 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.56 -23.81 30.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.433 0.635 . . . . 0.0 110.494 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.49 -43.93 25.78 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.153 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 -41.69 98.0 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.87 -29.58 41.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.513 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -77.5 -53.03 8.11 Favored 'General case' 0 C--O 1.247 0.961 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.97 -26.47 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.442 0.697 . . . . 0.0 111.733 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.08 -46.14 82.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.774 0.83 . . . . 0.0 111.089 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -85.09 -30.9 23.68 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.98 -40.09 79.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.239 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CD1' HD13 ' A' ' 35' ' ' LEU . 83.7 t80 -68.65 -65.34 0.71 Allowed 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m -154.4 88.64 1.23 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.96 -35.82 48.81 Favored Glycine 0 CA--C 1.496 -1.114 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -56.38 -28.06 58.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.779 -0.711 . . . . 0.0 110.585 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -91.33 -66.73 0.9 Allowed 'General case' 0 N--CA 1.413 -2.32 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.86 -43.84 39.61 Favored Glycine 0 CA--C 1.506 -0.513 0 N-CA-C 115.659 1.023 . . . . 0.0 115.659 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.26 -31.28 33.79 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.139 0.495 . . . . 0.0 111.805 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -104.26 -61.22 1.47 Allowed 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -99.46 4.46 46.12 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HG2' ' HB3' ' A' ' 67' ' ' GLU 0.264 0.0 OUTLIER 65.87 164.13 0.17 Allowed 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 125.262 1.425 . . . . 0.0 111.011 -170.931 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 tp -78.77 -33.95 46.0 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -169.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 69.65 139.64 0.04 OUTLIER 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.088 0.947 . . . . 0.0 110.974 -169.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.02 -19.78 59.91 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.764 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 13.9 m -67.22 -28.69 68.27 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.459 177.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -74.61 -28.52 60.93 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 176.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.9 tm? -62.64 -26.0 68.41 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 30' ' ' SER . 3.9 tmmm? -59.55 -50.67 73.02 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.806 0.812 . . . . 0.0 111.459 175.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -64.34 -32.9 74.69 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.966 0.888 . . . . 0.0 110.107 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.577 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 13.6 tp -72.03 -45.74 59.7 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.552 -1.204 . . . . 0.0 111.708 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 2.9 pt -61.19 -36.83 75.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 121.078 0.466 . . . . 0.0 110.866 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.6 -30.68 70.85 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.421 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -122.52 -68.54 0.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -176.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.72 -14.71 56.18 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -171.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 6.7 mp -94.08 -70.41 0.71 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.529 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 t -91.63 83.67 5.37 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.76 -44.65 66.3 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.274 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.479 ' H ' HD22 ' A' ' 44' ' ' LEU . 50.4 p90 -154.49 20.39 0.47 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.388 0.613 . . . . 0.0 110.348 177.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 43' ' ' PHE . 2.9 mm? -91.07 20.6 4.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.677 0.751 . . . . 0.0 110.757 -173.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.591 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 34.1 mt-10 -72.09 -3.21 21.79 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.167 -175.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -93.82 -4.19 50.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.023 -174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 53.2 mt -86.13 -86.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.241 -176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -116.02 -79.62 0.59 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' HG3' ' HA ' ' A' ' 45' ' ' GLU . 4.0 mm-40 57.8 -73.26 0.02 OUTLIER 'General case' 0 C--O 1.184 -2.386 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 170.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -48.06 -42.1 27.72 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -165.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -74.95 -46.64 34.18 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 122.043 0.925 . . . . 0.0 109.798 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 80' ' ' VAL . 12.0 t -72.94 -33.54 43.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.639 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.616 ' O ' ' HG2' ' A' ' 57' ' ' MET . 77.1 t -63.27 -37.0 78.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 C-N-CA 123.078 0.551 . . . . 0.0 109.731 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.18 -41.64 85.55 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.691 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -67.12 -35.75 80.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.57 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.9 p -68.83 -37.2 77.08 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.616 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -63.14 -33.92 76.5 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.18 -62.48 1.36 Allowed 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.204 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -66.3 -49.7 66.16 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.68 -46.12 77.65 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 123.555 0.742 . . . . 0.0 111.177 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.68 -32.27 25.67 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.21 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -71.25 -42.06 69.31 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.31 -59.11 4.77 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.55 -68.51 1.51 Allowed Glycine 0 C--O 1.24 0.504 0 O-C-N 123.672 0.608 . . . . 0.0 113.744 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.07 -62.24 0.31 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.029 2.132 . . . . 0.0 112.558 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.31 -49.39 0.75 Allowed Glycine 0 C--N 1.291 -1.942 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.5 pm0 -116.69 151.46 36.29 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.01 -0.595 . . . . 0.0 111.615 176.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -113.47 119.72 38.55 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.06 160.45 24.51 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.8 -21.73 66.51 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.546 0.689 . . . . 0.0 110.047 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -69.05 -42.15 76.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 46.2 mt-10 -75.26 -28.77 59.97 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.297 0.57 . . . . 0.0 110.239 -177.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 2.7 t80 -54.88 -45.59 74.68 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.23 46.81 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.461 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -50.5 -56.64 10.7 Favored 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -67.3 -41.51 85.24 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.425 ' HB ' HD23 ' A' ' 40' ' ' LEU . 12.0 p -70.58 -38.57 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.223 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.13 73.95 Favored 'General case' 0 N--CA 1.438 -1.051 0 O-C-N 122.022 -0.424 . . . . 0.0 111.417 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.6 ptt? -81.54 -26.7 34.85 Favored 'General case' 0 C--O 1.206 -1.205 0 C-N-CA 118.525 -1.27 . . . . 0.0 112.535 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 52' ' ' VAL . 31.0 m -75.35 -44.84 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 119.414 -0.914 . . . . 0.0 111.295 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.8 m -78.63 -51.95 9.15 Favored 'General case' 0 N--CA 1.407 -2.611 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.506 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.8 m -77.37 -73.58 0.29 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 42.58 68.45 0.48 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.24 1.016 . . . . 0.0 111.621 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.9 t 70.25 -32.87 0.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.256 1.422 . . . . 0.0 113.222 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' A' ' 87' ' ' PHE . 93.1 m-70 -84.64 153.13 23.35 Favored 'General case' 0 C--O 1.208 -1.091 0 O-C-N 121.719 -0.613 . . . . 0.0 111.672 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 4.2 mm-40 75.11 -31.08 0.2 Allowed 'General case' 0 C--O 1.195 -1.792 0 C-N-CA 124.872 1.269 . . . . 0.0 110.846 -166.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.445 ' H ' ' C ' ' A' ' 85' ' ' HIS . 63.2 t80 -82.03 -18.52 42.94 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 171.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -100.39 -49.09 4.35 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.425 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -69.27 -72.53 0.18 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.244 0.618 . . . . 0.0 110.961 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.61 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 28.9 t-80 -60.56 -44.31 96.29 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 122.966 0.506 . . . . 0.0 111.579 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.275 16.6 pt-20 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 116.427 -1.749 . . . . 0.0 108.831 -174.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 19.3 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.845 0.355 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.69 -47.54 66.18 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.64 -34.11 77.12 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 121.26 0.553 . . . . 0.0 111.296 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' B' ' 1' ' ' SER . 38.8 tt0 -55.45 -52.35 63.9 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 113.824 -1.535 . . . . 0.0 109.479 176.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -74.06 -34.0 63.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.336 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.79 -57.54 7.72 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.824 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -58.21 -41.69 84.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.2 -24.9 32.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-O 121.395 0.617 . . . . 0.0 110.272 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.72 -44.38 33.63 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.33 -40.36 96.11 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 pt -70.76 -29.45 37.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.762 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 33.3 t70 -77.85 -53.23 7.72 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 111.398 0.147 . . . . 0.0 111.398 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 14.1 p -53.73 -26.87 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 123.599 0.76 . . . . 0.0 111.895 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -57.23 -45.72 83.65 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.822 0.849 . . . . 0.0 111.191 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -85.8 -30.21 23.18 Favored 'General case' 0 CA--C 1.492 -1.261 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 18.4 mm-40 -57.91 -42.19 84.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.63 -62.6 1.42 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 63.3 m -158.81 91.13 1.03 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -34.04 49.39 Favored Glycine 0 CA--C 1.497 -1.046 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.411 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 4.6 ppt_? -54.82 -32.76 60.77 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.662 -0.769 . . . . 0.0 110.268 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.411 ' HG2' ' HD2' ' B' ' 20' ' ' ARG . 14.6 mm-40 -87.18 -66.71 0.88 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.666 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.71 -43.56 38.0 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 115.521 0.968 . . . . 0.0 115.521 -169.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.52 -29.48 30.42 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -104.82 -66.91 0.94 Allowed 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -93.87 6.22 49.13 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.676 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' B' ' 67' ' ' GLU 0.268 0.0 OUTLIER 64.46 167.21 0.16 Allowed 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.367 1.467 . . . . 0.0 111.364 -171.58 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 tp -79.96 -32.15 39.89 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.9 135.88 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.946 0.879 . . . . 0.0 111.083 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.25 -22.37 61.24 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.442 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 18.9 m -64.02 -27.58 69.21 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.665 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -81.44 -21.98 38.48 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 121.99 -0.444 . . . . 0.0 110.708 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.0 tm? -65.6 -25.81 67.56 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' B' ' 30' ' ' SER . 3.7 tmmm? -58.48 -50.75 72.59 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 122.064 0.935 . . . . 0.0 111.015 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.1 -38.44 82.95 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.32 175.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.599 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 15.8 tp -70.3 -44.23 68.76 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.819 -175.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 3.1 pt -62.97 -34.73 67.99 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 118.021 0.373 . . . . 0.0 111.246 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -62.67 -29.82 70.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.475 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -124.84 -70.82 0.73 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.47 -15.85 57.08 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -170.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 6.5 mp -93.42 -70.41 0.7 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.942 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -91.81 85.22 5.55 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -69.49 -40.23 77.16 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.394 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.445 ' H ' HD22 ' B' ' 44' ' ' LEU . 42.2 p90 -161.2 23.6 0.13 Allowed 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.445 HD22 ' H ' ' B' ' 43' ' ' PHE . 2.9 mm? -92.77 19.64 7.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.498 0.665 . . . . 0.0 110.954 -173.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' B' ' 49' ' ' GLU . 35.0 mt-10 -70.49 -1.34 10.58 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.015 1.326 . . . . 0.0 112.916 -175.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.2 -16.4 27.73 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.905 0.482 . . . . 0.0 112.244 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -77.1 -82.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -121.32 -79.65 0.61 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 175.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' B' ' 45' ' ' GLU . 2.4 mm-40 57.97 -73.43 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.315 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 169.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -49.37 -37.88 26.46 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -165.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -77.51 -47.6 19.16 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 121.889 0.852 . . . . 0.0 109.682 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 12.9 t -71.22 -35.35 57.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.716 -173.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.622 ' O ' HG12 ' B' ' 56' ' ' VAL . 76.9 t -63.28 -37.09 78.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 C-N-CA 123.156 0.582 . . . . 0.0 109.866 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -42.35 89.61 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -68.12 -35.22 77.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.703 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.622 HG12 ' O ' ' B' ' 53' ' ' VAL . 2.0 p -68.39 -36.19 73.87 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.674 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.3 mmt -64.99 -28.61 69.63 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 121.267 0.556 . . . . 0.0 110.131 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.88 -62.24 1.66 Allowed 'General case' 0 N--CA 1.418 -2.045 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.713 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.8 p -65.13 -49.58 69.35 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.8 tp -55.92 -46.52 78.42 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 123.43 0.692 . . . . 0.0 111.07 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.39 -32.89 32.61 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.062 -176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -38.55 57.08 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.961 0.41 . . . . 0.0 110.141 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.16 -55.06 36.71 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.09 -72.69 0.72 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.461 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 67.6 -56.88 0.46 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 127.154 2.182 . . . . 0.0 112.462 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.67 -45.53 1.1 Allowed Glycine 0 C--N 1.295 -1.74 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.498 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 2.0 pm0 -119.0 152.59 36.12 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.177 -0.511 . . . . 0.0 111.31 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 51.7 t -114.79 119.29 36.15 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 170.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -83.49 161.55 21.21 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -63.47 -21.74 66.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.995 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 75' ' ' ALA . 97.0 mt-30 -68.31 -42.9 78.75 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.731 172.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 75' ' ' ALA . 45.5 mt-10 -75.16 -28.49 60.12 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 110.404 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.599 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 2.8 t80 -55.05 -45.97 75.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.565 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -47.14 55.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.5 175.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' B' ' 72' ' ' GLU . . . -51.12 -57.84 7.67 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -175.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.79 -39.39 87.75 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.445 ' HB ' HD23 ' B' ' 40' ' ' LEU . 12.3 p -71.65 -39.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.54 77.41 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 122.254 -0.279 . . . . 0.0 111.387 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptt? -79.6 -28.12 41.03 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 118.572 -1.251 . . . . 0.0 112.628 -179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.526 ' HA ' ' CG1' ' B' ' 52' ' ' VAL . 27.5 m -74.49 -43.78 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.703 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.391 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -80.55 -50.14 10.4 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.677 -176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.5 m -78.82 -73.87 0.31 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 41.69 69.05 0.39 Allowed 'General case' 0 C--O 1.246 0.906 0 C-N-CA 124.182 0.993 . . . . 0.0 111.826 -175.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.5 t 71.45 -34.27 0.29 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.336 1.454 . . . . 0.0 113.2 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.448 ' C ' ' H ' ' B' ' 87' ' ' PHE . 93.7 m-70 -85.57 151.89 23.57 Favored 'General case' 0 C--O 1.209 -1.06 0 O-C-N 121.652 -0.655 . . . . 0.0 111.515 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 11.7 mm-40 75.91 -30.08 0.19 Allowed 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 124.795 1.238 . . . . 0.0 110.625 -166.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' B' ' 85' ' ' HIS . 56.0 t80 -84.52 -15.85 44.41 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 171.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -101.41 -55.92 2.42 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.325 -1.307 . . . . 0.0 108.422 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -63.75 -75.08 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.446 0.698 . . . . 0.0 111.448 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.592 ' HB3' ' O ' ' B' ' 86' ' ' GLU . 26.9 t-80 -56.42 -47.96 77.98 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.295 0.372 . . . . 0.0 110.969 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . 0.288 12.8 pt-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.311 -1.804 . . . . 0.0 109.108 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.241 0.658 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.44 -49.11 65.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.768 0.827 . . . . 0.0 110.161 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD12 HG21 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -64.38 -40.76 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -176.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 8' ' ' VAL . 30.9 tt0 -54.57 -56.26 20.75 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.834 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -55.13 -44.12 74.77 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.845 0.858 . . . . 0.0 110.832 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.76 96.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.024 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.97 -47.2 84.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.204 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 4' ' ' GLU . 87.1 t -60.24 -44.59 95.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.458 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.26 86.18 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.11 -42.52 93.87 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.493 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 40.4 pt -74.28 -31.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.54 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.07 -28.78 27.34 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.939 -0.704 . . . . 0.0 112.486 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.51 -35.02 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 121.14 0.495 . . . . 0.0 110.491 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 27' ' ' LEU . 85.8 t80 -65.34 -45.98 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.826 0.822 . . . . 0.0 108.858 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.45 -49.52 77.24 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.556 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -58.22 -27.87 64.33 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.729 0.812 . . . . 0.0 112.911 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.42 -49.28 69.79 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.0 t -149.04 92.04 1.92 Allowed 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.133 0.492 . . . . 0.0 111.017 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.99 59.56 4.93 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-O 121.63 0.572 . . . . 0.0 112.762 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -45.35 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -77.56 -49.5 14.54 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -59.26 -59.82 9.98 Favored Glycine 0 CA--C 1.483 -1.951 0 O-C-N 124.617 1.198 . . . . 0.0 111.38 -177.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -41.62 -59.11 1.73 Allowed 'General case' 0 N--CA 1.481 1.112 0 O-C-N 124.741 0.907 . . . . 0.0 112.967 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.38 -52.97 7.05 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -130.18 17.59 5.52 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.6 mmpt? 67.25 -167.65 0.2 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.578 0.751 . . . . 0.0 110.972 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 52.9 mt -146.98 153.1 39.67 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -80.94 154.26 27.08 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 123.653 0.596 . . . . 0.0 110.205 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.15 -18.25 64.26 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.834 174.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.698 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.8 m -53.65 -38.54 64.21 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.35 -19.96 48.97 Favored 'General case' 0 C--O 1.259 1.604 0 CA-C-O 122.14 0.971 . . . . 0.0 110.943 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 20.6 tp -61.71 -19.25 62.18 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.85 174.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.698 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -51.19 -34.36 31.42 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.823 0.849 . . . . 0.0 112.741 176.02 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 17.8 mt-10 -82.52 -38.7 23.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.473 0.654 . . . . 0.0 110.047 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 32' ' ' LEU . 21.6 tp -68.52 -34.59 76.15 Favored 'General case' 0 CA--C 1.558 1.287 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.836 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.592 HG22 HD22 ' A' ' 40' ' ' LEU . 11.2 pt -67.66 -43.64 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 O-C-N 121.951 -0.468 . . . . 0.0 111.499 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.88 -30.93 62.31 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.227 0.611 . . . . 0.0 111.338 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -92.35 -60.73 1.76 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' B' ' 3' ' ' LEU . 68.1 mm-40 -87.78 -62.11 1.57 Allowed 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.592 HD22 HG22 ' A' ' 36' ' ' ILE . 4.9 mp -70.37 -20.52 62.96 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -170.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.7 m -129.43 96.43 4.28 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.769 -0.582 . . . . 0.0 110.2 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.477 ' O ' HD22 ' A' ' 44' ' ' LEU . 56.9 p-80 -140.7 102.33 4.28 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.809 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 70.68 7.2 6.13 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 124.265 1.026 . . . . 0.0 112.751 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 42' ' ' HIS . 2.9 mm? -84.63 72.84 10.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.13 -20.14 4.2 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.776 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' HG13 ' A' ' 47' ' ' ILE . 11.2 pt-20 -92.03 1.25 57.31 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.892 -169.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.45 HG13 ' HG3' ' A' ' 46' ' ' GLU . 40.1 mt -112.82 -87.14 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.837 -176.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -150.67 8.83 0.59 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.235 0.54 . . . . 0.0 110.829 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 mp0 -76.59 -23.25 53.48 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -169.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.8 -30.44 63.69 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.353 0.524 . . . . 0.0 111.109 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.8 mm-40 -73.05 -49.52 28.22 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.05 -28.11 35.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.257 -174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.579 ' O ' ' HG2' ' A' ' 57' ' ' MET . 70.6 t -64.09 -36.01 75.53 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 25.8 t70 -70.95 -41.39 71.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.166 0.507 . . . . 0.0 110.153 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 26.4 mmmt -66.05 -34.97 79.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.002 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.694 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.5 p -68.53 -33.65 61.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.206 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.2 mmt -67.7 -39.12 84.4 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 45.4 mt-10 -66.58 -51.24 58.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.062 0.458 . . . . 0.0 110.395 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.4 p -65.31 -41.75 93.72 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.694 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 7.7 tp -51.95 -49.39 63.27 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.933 0.893 . . . . 0.0 110.281 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.57 -51.87 51.73 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.338 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -70.86 -39.33 72.96 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.42 -10.1 45.08 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.95 0.881 . . . . 0.0 110.543 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.17 62.12 0.02 OUTLIER Glycine 0 N--CA 1.473 1.113 0 CA-C-N 114.414 -1.266 . . . . 0.0 115.282 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.51 -41.32 0.33 Allowed 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 123.901 0.88 . . . . 0.0 109.464 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.29 41.43 3.06 Favored Glycine 0 CA--C 1.495 -1.167 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.473 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 59.13 -162.44 0.24 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.243 1.417 . . . . 0.0 110.325 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -138.88 117.72 12.36 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 172.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.13 164.67 12.77 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 11' ' ' ILE . 27.6 m-85 -63.63 -31.17 72.25 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.629 0.772 . . . . 0.0 109.57 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.0 -33.55 76.33 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.098 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.14 -29.45 48.78 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.517 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 7.2 m-85 -52.08 -54.52 29.33 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 123.479 0.487 . . . . 0.0 110.041 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 tpt -59.53 -41.89 91.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.983 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.59 -52.64 63.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.428 0.632 . . . . 0.0 111.424 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -64.23 -43.56 94.56 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.68 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.462 HG21 HD12 ' B' ' 3' ' ' LEU . 14.9 p -71.53 -38.87 69.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.59 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -68.66 -30.59 69.31 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.029 -0.669 . . . . 0.0 111.405 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -78.11 -29.61 49.02 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 117.614 -1.634 . . . . 0.0 111.624 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.34 -52.57 12.48 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.781 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.917 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 m -84.8 -39.08 18.8 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.59 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 19.2 m -86.71 -53.83 4.72 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -23.59 12.99 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.2 p -72.55 -65.79 0.74 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HB2' HG21 ' A' ' 47' ' ' ILE . 56.1 t60 -126.83 -1.77 6.62 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.753 -0.592 . . . . 0.0 112.428 -176.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' THR . 61.4 mm-40 -97.23 -38.97 9.48 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.361 -0.837 . . . . 0.0 110.45 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -89.83 146.31 24.54 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 65.26 33.14 9.43 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.907 0.883 . . . . 0.0 109.733 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -165.8 -74.58 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.998 -1.001 . . . . 0.0 108.525 -176.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -76.11 -39.47 55.12 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 106.727 -1.582 . . . . 0.0 106.727 173.678 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.08 -49.98 63.24 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.635 0.774 . . . . 0.0 109.694 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -64.83 -40.91 95.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.483 -176.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 8' ' ' VAL . 34.0 tt0 -54.47 -57.7 10.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.781 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' B' ' 5' ' ' LYS . 36.4 ttpt -53.22 -44.08 67.75 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.202 1.001 . . . . 0.0 110.99 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.48 92.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.045 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -62.51 -47.17 85.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.027 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 4' ' ' GLU . 96.8 t -59.34 -45.7 93.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.97 83.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.1 -42.77 93.7 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.445 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 41.6 pt -74.24 -33.07 33.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.666 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 17.5 t70 -83.97 -26.85 28.89 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.413 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.34 -37.05 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 CA-C-O 121.235 0.54 . . . . 0.0 110.215 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' B' ' 27' ' ' LEU . 87.2 t80 -63.24 -46.51 86.58 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 122.101 0.953 . . . . 0.0 108.639 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 71.8 t60 -59.53 -49.1 79.1 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.898 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -59.55 -30.39 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.693 0.797 . . . . 0.0 112.699 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.79 -51.39 68.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.1 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.4 t -146.14 96.95 2.87 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.269 0.557 . . . . 0.0 110.365 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.04 60.18 4.14 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.282 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.92 -48.33 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.5 -48.49 32.92 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.429 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -59.91 -58.86 11.98 Favored Glycine 0 CA--C 1.488 -1.645 0 O-C-N 124.659 1.224 . . . . 0.0 111.182 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -44.98 -54.85 6.08 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.592 0.71 . . . . 0.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -81.25 -63.03 1.49 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -126.17 26.54 6.46 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -169.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 9.4 mmpt? 62.7 -166.15 0.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 123.865 0.728 . . . . 0.0 111.991 175.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' B' ' 14' ' ' PHE . 61.2 mt -147.99 152.47 37.52 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 123.918 0.887 . . . . 0.0 108.642 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 13.5 mptt -81.61 154.7 26.02 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.69 0.619 . . . . 0.0 109.73 175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.555 ' HZ1' ' CD ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -63.42 -18.05 63.31 Favored 'General case' 0 C--O 1.206 -1.229 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.573 173.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.722 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 2.4 m -52.44 -39.32 60.9 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 123.03 0.532 . . . . 0.0 109.854 172.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.47 -19.56 45.72 Favored 'General case' 0 C--O 1.258 1.548 0 CA-C-O 122.053 0.93 . . . . 0.0 110.768 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 22.5 tp -61.95 -19.2 62.5 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.716 174.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.722 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -51.52 -34.76 37.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.921 0.889 . . . . 0.0 112.368 176.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.547 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 11.9 mt-10 -84.02 -35.72 23.66 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.384 0.611 . . . . 0.0 110.724 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.64 -33.44 70.98 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.656 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.582 HG22 HD22 ' B' ' 40' ' ' LEU . 10.9 pt -69.11 -41.92 81.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.929 0 O-C-N 121.86 -0.525 . . . . 0.0 110.874 176.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.23 -32.01 64.07 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 123.939 0.775 . . . . 0.0 111.37 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -91.86 -59.47 2.11 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -87.25 -63.0 1.37 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -171.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.582 HD22 HG22 ' B' ' 36' ' ' ILE . 5.0 mp -70.06 -19.36 63.29 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -170.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -130.38 99.19 4.92 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.334 0.587 . . . . 0.0 110.083 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.511 ' O ' HD22 ' B' ' 44' ' ' LEU . 52.4 p-80 -142.53 102.32 4.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.791 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 71.58 3.91 4.85 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 124.011 0.925 . . . . 0.0 112.842 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.511 HD22 ' O ' ' B' ' 42' ' ' HIS . 2.6 mm? -82.66 76.31 9.52 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -130.38 -16.35 3.5 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.865 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -95.57 -4.74 44.08 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.479 HD12 ' OE2' ' B' ' 49' ' ' GLU . 34.6 mt -106.99 -86.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.231 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.69 -175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -150.52 7.09 0.57 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.168 0.509 . . . . 0.0 110.779 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.479 ' OE2' HD12 ' B' ' 47' ' ' ILE . 20.4 mp0 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -169.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -56.51 -31.64 64.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.126 0.489 . . . . 0.0 111.359 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 17.1 mm-40 -71.62 -50.9 26.45 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -68.14 -28.1 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.307 -174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.2 t -64.61 -35.05 73.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-O 121.244 0.545 . . . . 0.0 109.773 175.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 51' ' ' GLU . 25.5 mmmt -64.12 -35.9 82.27 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.954 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.718 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.7 p -68.59 -32.0 53.38 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.4 mmt -69.99 -41.97 73.7 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.48 -49.98 74.6 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.107 0.479 . . . . 0.0 110.553 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.1 p -68.61 -42.45 78.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.569 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.718 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 8.3 tp -51.33 -50.16 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.891 0.877 . . . . 0.0 110.36 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.95 -46.04 72.54 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.455 -1.248 . . . . 0.0 112.37 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.39 -43.81 59.81 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.93 -6.72 57.08 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 122.358 1.075 . . . . 0.0 110.566 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.26 59.57 0.04 OUTLIER Glycine 0 C--N 1.3 -1.417 0 CA-C-N 114.371 -1.286 . . . . 0.0 115.071 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.88 -41.18 0.4 Allowed 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 123.583 0.753 . . . . 0.0 109.715 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.38 45.42 3.13 Favored Glycine 0 CA--C 1.488 -1.634 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.848 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 43.5 mm-40 57.41 -160.13 0.24 Allowed 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 125.699 1.6 . . . . 0.0 110.695 178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.501 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 46.3 t -140.87 115.84 9.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 172.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -92.61 165.74 12.84 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 29.1 m-85 -67.91 -28.89 67.88 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.63 -32.44 73.92 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.749 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.555 ' CD ' ' HZ1' ' B' ' 29' ' ' LYS . 44.7 mt-10 -78.99 -31.98 45.05 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.505 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 6.8 m-85 -50.7 -54.65 21.45 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.58 0.55 . . . . 0.0 109.958 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.44 -41.6 89.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.099 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.15 -51.54 67.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.392 0.615 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.23 -45.44 88.18 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.537 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.459 HG21 HD12 ' A' ' 3' ' ' LEU . 15.0 p -69.85 -38.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.63 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.95 -29.25 67.45 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.47 -176.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.42 -29.81 42.06 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 117.336 -1.746 . . . . 0.0 111.737 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.3 m -84.21 -52.51 12.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.977 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -84.5 -39.37 18.95 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.354 0.597 . . . . 0.0 112.364 -174.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 17.0 m -88.12 -52.11 5.42 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.77 -6.16 3.43 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 18.2 p -84.23 -58.85 2.59 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.348 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' B' ' 89' ' ' GLU . 70.7 t60 -131.99 -9.25 3.45 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -176.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' B' ' 82' ' ' THR . 14.4 mm-40 -92.12 -37.66 12.62 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.328 -0.857 . . . . 0.0 110.442 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -89.12 145.49 25.42 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 176.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 65.4 32.22 9.8 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.772 0.67 . . . . 0.0 110.578 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 8.6 tp10 -164.29 -75.38 0.04 OUTLIER 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.628 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -70.02 -45.87 66.29 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 . . . . . 0 N--CA 1.409 -2.523 0 CA-C-N 114.355 -1.293 . . . . 0.0 108.01 174.393 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.316 0.579 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HG3' ' HB1' ' B' ' 9' ' ' ALA . 8.5 tp10 -61.38 -40.56 94.76 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.532 0.682 . . . . 0.0 110.418 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.2 -22.56 61.25 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.0 -44.42 89.32 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.87 -38.0 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.404 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.29 -47.01 71.9 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.953 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -63.58 -40.83 97.97 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.061 0.457 . . . . 0.0 109.774 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.34 -35.0 63.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.875 176.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -45.01 91.86 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.182 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.9 mp -61.83 -51.79 66.8 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 121.415 0.626 . . . . 0.0 110.307 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.1 pt -72.45 -37.07 56.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 22.8 t70 -69.03 -41.04 78.22 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.328 -0.233 . . . . 0.0 111.172 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.83 -35.92 74.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' HZ ' ' HG ' ' A' ' 68' ' ' CYS . 2.8 m-30 -63.31 -38.14 90.0 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 110.935 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -68.83 -42.02 77.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 30.8 mm-40 -53.46 -41.78 66.5 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.899 0.479 . . . . 0.0 111.824 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.33 62.68 2.39 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.6 m 60.38 14.47 4.74 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.333 1.053 . . . . 0.0 113.032 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.617 ' HA2' ' HB3' ' A' ' 23' ' ' ASP . . . -83.34 62.47 4.62 Favored Glycine 0 CA--C 1.495 -1.209 0 CA-C-O 121.584 0.547 . . . . 0.0 113.85 -174.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 -34.06 0.88 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.755 -0.722 . . . . 0.0 109.937 173.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.15 -42.5 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.871 177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.31 -45.15 75.5 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 175.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.617 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 21.6 t70 -93.82 152.25 19.04 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.47 15.79 0.56 Allowed 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 125.481 1.512 . . . . 0.0 111.375 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HE3' ' A' ' 26' ' ' LYS . 22.1 m80 59.84 29.11 18.69 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 121.963 0.887 . . . . 0.0 109.133 -170.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 7.7 mmpt? -149.85 106.45 3.52 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 101.945 -3.354 . . . . 0.0 101.945 -177.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 tm? -75.79 -35.4 60.1 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -159.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 74.77 136.02 0.06 Allowed 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.762 0.791 . . . . 0.0 110.831 -175.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 8.2 mtmp? -63.75 -22.73 67.06 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.481 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.673 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 4.9 m -55.99 -47.46 77.68 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.294 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -83.79 -18.17 38.62 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 121.585 0.707 . . . . 0.0 111.252 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.9 tm? -61.03 -20.29 62.37 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 114.948 -1.023 . . . . 0.0 108.26 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.673 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.29 -38.39 65.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.796 0.838 . . . . 0.0 112.333 174.283 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.629 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 25.2 mt-10 -74.03 -35.24 64.32 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.637 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.36 -53.66 53.81 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.757 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 40' ' ' LEU . 8.5 pt -64.14 -38.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.9 -44.73 39.03 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.208 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -101.3 -64.07 1.08 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -78.98 -5.88 54.93 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 77' ' ' VAL . 4.8 tt -90.33 -44.5 9.64 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.2 m -137.6 136.18 37.31 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -76.49 -67.73 0.66 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 166.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -127.43 21.49 6.61 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.74 87.65 6.32 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 50' ' ' GLN . 36.5 mt-10 -144.04 17.11 1.75 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 18.09 2.46 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.1 mt -113.02 -60.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -150.33 -31.19 0.2 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.837 0.855 . . . . 0.0 111.495 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -63.73 -25.72 68.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 C-N-CA 124.797 1.239 . . . . 0.0 110.753 -178.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 28.2 pt20 -56.09 -33.9 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.433 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.46 -48.38 11.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.674 0.749 . . . . 0.0 109.61 173.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG12 HG23 ' A' ' 56' ' ' VAL . 39.1 t -66.48 -37.86 80.51 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -171.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 57' ' ' MET . 58.9 t -55.32 -40.98 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.99 -42.46 94.51 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.172 0.511 . . . . 0.0 110.521 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -69.42 -32.64 71.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.6 0.714 . . . . 0.0 110.031 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.572 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 t -62.5 -39.05 82.99 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 C-N-CA 124.539 1.136 . . . . 0.0 110.557 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.3 mmt -66.41 -24.53 66.48 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.34 -60.84 2.21 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-O 121.519 0.676 . . . . 0.0 109.382 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 56' ' ' VAL . 6.6 p -56.52 -33.34 65.95 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.772 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.3 tp -49.41 -33.43 13.89 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.817 1.247 . . . . 0.0 110.921 178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -114.34 -40.98 3.54 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.088 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.24 -28.18 69.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.57 -69.0 0.35 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.889 0.376 . . . . 0.0 110.637 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.46 ' H ' ' HE2' ' A' ' 29' ' ' LYS . . . 59.18 37.13 91.32 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.089 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.41 -37.53 81.16 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 117.251 0.526 . . . . 0.0 111.038 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.49 87.42 0.06 OUTLIER Glycine 0 N--CA 1.411 -2.988 0 C-N-CA 118.944 -1.598 . . . . 0.0 114.309 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 65.76 -149.17 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.606 ' HG ' ' HZ ' ' A' ' 14' ' ' PHE . 49.8 t -151.9 123.96 8.12 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.737 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 4.1 m-20 -126.87 -161.95 1.11 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -64.19 -22.64 67.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -72.77 -50.85 21.76 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.199 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 22.9 mp0 -63.88 -39.16 93.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -53.26 -62.24 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.125 178.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -40.34 89.79 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.876 0.735 . . . . 0.0 111.116 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -57.26 -55.16 38.38 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 123.466 0.479 . . . . 0.0 111.879 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -64.38 -48.98 73.42 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.3 p -66.14 -34.5 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.68 -51.07 12.2 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 119.384 -0.927 . . . . 0.0 111.315 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.4 ptt? -65.88 -23.96 66.76 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.34 -51.85 30.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.86 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.3 m -78.97 -27.17 43.44 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.4 p -98.5 -86.15 0.36 Allowed 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 119.675 -0.81 . . . . 0.0 112.096 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.05 6.84 1.03 Allowed 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.604 1.561 . . . . 0.0 113.113 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.8 t -161.11 151.59 17.93 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -76.07 32.36 0.12 Allowed 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.647 0.779 . . . . 0.0 111.694 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -86.17 -39.96 16.12 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 123.633 0.773 . . . . 0.0 110.418 -174.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -60.7 20.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 128.207 2.603 . . . . 0.0 117.928 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . 0.25 96.6 m-85 -82.04 61.27 5.25 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 120.571 1.532 . . . . 0.0 114.517 -175.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 90' ' ' HIS . 39.6 tt0 165.97 -59.32 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 127.623 2.369 . . . . 0.0 107.722 175.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.474 ' CD2' ' HG2' ' A' ' 89' ' ' GLU . 93.0 m-70 -151.1 -33.29 0.15 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.797 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.412 -2.373 0 N-CA-C 101.595 -3.483 . . . . 0.0 101.595 -172.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.439 -1.002 0 CA-C-O 121.658 0.742 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -64.78 -33.82 76.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.003 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.28 -25.02 54.48 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.36 -49.84 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.97 -39.13 93.45 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.246 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.499 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -67.8 -44.61 76.94 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.915 -178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -64.97 -41.06 95.77 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.86 -35.53 61.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.473 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' HG3' ' A' ' 2' ' ' GLU . . . -59.9 -45.19 93.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.339 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.9 mp -62.21 -49.28 76.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.499 0.666 . . . . 0.0 110.323 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.37 -35.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -173.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 25.1 t70 -71.14 -41.48 70.42 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 122.184 -0.323 . . . . 0.0 110.973 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.95 -37.68 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.725 ' HZ ' ' HG ' ' B' ' 68' ' ' CYS . 2.3 m-30 -62.79 -37.65 87.55 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.188 0.518 . . . . 0.0 111.127 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' B' ' 20' ' ' ARG . 27.2 t60 -68.33 -42.38 79.43 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.79 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 77.1 mm-40 -55.47 -37.88 68.36 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -77.98 53.62 1.2 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m 67.39 13.71 9.43 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 124.617 1.167 . . . . 0.0 112.384 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.628 ' HA2' ' HB3' ' B' ' 23' ' ' ASP . . . -81.61 59.86 4.79 Favored Glycine 0 CA--C 1.499 -0.952 0 CA-C-O 121.608 0.56 . . . . 0.0 114.01 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.479 ' HB3' ' CE1' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -135.61 -31.22 0.96 Allowed 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.728 -0.736 . . . . 0.0 110.226 174.203 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -45.09 0.06 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 111.18 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.99 70.2 Favored Glycine 0 CA--C 1.491 -1.435 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.491 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.628 ' HB3' ' HA2' ' B' ' 19' ' ' GLY . 19.3 t70 -95.2 154.83 17.0 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -77.37 15.7 0.72 Allowed 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 124.78 1.232 . . . . 0.0 111.423 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.43 ' O ' ' HE3' ' B' ' 26' ' ' LYS . 25.2 m80 59.88 28.11 17.55 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.756 0.789 . . . . 0.0 109.486 -169.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 7.8 mmpt? -150.47 108.7 3.76 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 101.256 -3.609 . . . . 0.0 101.256 -178.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' B' ' 14' ' ' PHE . 2.3 tm? -78.29 -34.77 48.66 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -158.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.2 OUTLIER 75.19 136.73 0.06 Allowed 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.687 -175.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.484 ' NZ ' ' HB2' ' B' ' 29' ' ' LYS . 8.3 mtmp? -64.78 -21.64 66.82 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.549 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.696 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 3.8 m -55.67 -49.08 73.9 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.742 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -81.82 -18.24 44.67 Favored 'General case' 0 C--O 1.247 0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 111.441 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.451 HD13 ' O ' ' B' ' 32' ' ' LEU . 2.8 tm? -60.9 -20.32 61.84 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.696 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.3 -37.28 64.62 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.985 0.914 . . . . 0.0 112.343 174.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.677 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 26.1 mt-10 -76.5 -34.86 58.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 177.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.09 -52.14 66.16 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.41 HG22 HD12 ' B' ' 40' ' ' LEU . 7.4 pt -64.36 -38.47 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.98 -41.31 36.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -100.5 -67.02 0.87 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -79.37 -5.71 55.18 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -172.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' B' ' 77' ' ' VAL . 4.8 tt -89.19 -42.49 11.62 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.1 m -142.72 137.45 29.84 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -173.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -80.75 -61.36 1.99 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.525 -0.916 . . . . 0.0 108.525 166.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -129.73 18.2 5.71 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.0 87.81 5.98 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -143.88 13.73 1.69 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -140.71 22.43 2.31 Favored 'General case' 0 N--CA 1.426 -1.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -169.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 55.3 mt -113.76 -63.93 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -147.62 -29.84 0.33 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.402 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -64.98 -23.94 67.37 Favored 'General case' 0 N--CA 1.421 -1.892 0 C-N-CA 124.776 1.23 . . . . 0.0 110.881 -178.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -56.38 -32.01 64.38 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.887 0.375 . . . . 0.0 111.687 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.46 -50.56 8.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.934 0.873 . . . . 0.0 109.689 172.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.445 HG12 HG23 ' B' ' 56' ' ' VAL . 24.2 t -64.78 -39.63 86.31 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -170.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 57' ' ' MET . 70.0 t -54.82 -40.06 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.798 0.439 . . . . 0.0 112.147 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.58 -43.06 90.93 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.071 0.462 . . . . 0.0 110.722 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.484 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 26.2 mtpp -70.53 -31.11 68.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.838 0.828 . . . . 0.0 109.662 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.609 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.87 -39.48 85.18 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.692 0 C-N-CA 124.424 1.09 . . . . 0.0 110.705 173.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.58 -25.11 67.26 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 39.0 mt-10 -79.69 -61.22 2.06 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' VAL . 7.0 p -56.08 -33.66 65.26 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.061 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.609 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.6 tp -48.9 -34.89 13.62 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 125.052 1.341 . . . . 0.0 110.849 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -111.62 -42.37 3.86 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.248 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -61.31 -30.99 70.84 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.49 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.138 0.495 . . . . 0.0 110.508 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.471 ' H ' ' HE2' ' B' ' 29' ' ' LYS . . . 61.66 30.97 76.25 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.21 -35.08 69.21 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.221 0.51 . . . . 0.0 112.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.64 87.47 0.06 OUTLIER Glycine 0 N--CA 1.414 -2.796 0 C-N-CA 118.974 -1.584 . . . . 0.0 114.226 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.12 -141.82 0.58 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.725 ' HG ' ' HZ ' ' B' ' 14' ' ' PHE . 41.1 t -153.3 123.64 7.09 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.203 -0.999 . . . . 0.0 109.64 176.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 4.2 m-20 -125.82 -163.75 1.24 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.95 1.406 . . . . 0.0 107.267 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.24 -23.55 67.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -69.82 -53.22 19.2 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.158 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.5 mp0 -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.59 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -52.78 -61.89 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.085 179.25 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.64 -39.78 89.56 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -57.33 -56.6 19.75 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 123.545 0.528 . . . . 0.0 111.649 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -63.65 -47.99 79.05 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.59 HG12 ' O ' ' B' ' 73' ' ' PHE . 8.2 p -66.89 -34.35 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.97 -51.26 11.45 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.506 -0.877 . . . . 0.0 111.172 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.5 ptt? -65.67 -24.41 67.0 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -175.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.8 m -71.55 -50.59 38.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 C-N-CA 119.081 -1.048 . . . . 0.0 110.936 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 69.9 m -79.87 -28.01 40.01 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -97.2 -85.27 0.36 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.9 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 57.56 14.44 2.32 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.505 1.522 . . . . 0.0 113.068 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -168.31 153.68 6.69 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -76.06 30.6 0.11 Allowed 'General case' 0 N--CA 1.504 2.27 0 C-N-CA 123.888 0.875 . . . . 0.0 111.811 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -85.32 -38.87 18.31 Favored 'General case' 0 C--N 1.293 -1.855 0 C-N-CA 123.199 0.599 . . . . 0.0 110.643 -173.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -61.53 21.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 -168.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . 0.275 97.3 m-85 -83.53 60.67 5.8 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 120.764 1.62 . . . . 0.0 114.33 -175.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.537 ' HG2' ' CD2' ' B' ' 90' ' ' HIS . 41.5 tt0 167.11 -62.0 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 128.144 2.578 . . . . 0.0 107.417 174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.537 ' CD2' ' HG2' ' B' ' 89' ' ' GLU . 98.1 m-70 -150.59 -28.46 0.22 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.712 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 N--CA 1.409 -2.502 0 N-CA-C 100.411 -3.922 . . . . 0.0 100.411 -173.803 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 73.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -80.71 -33.77 35.04 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.04 -39.34 90.07 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.5 ' HG2' ' ND1' ' B' ' 42' ' ' HIS . 1.4 tm-20 -56.44 -55.68 30.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.295 1.438 . . . . 0.0 108.494 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -57.09 -41.67 79.33 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.327 0.651 . . . . 0.0 111.955 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -59.09 -48.52 81.31 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.796 0.685 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.584 ' SD ' HG22 ' B' ' 77' ' ' VAL . 33.2 ttp -59.5 -46.6 88.35 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.773 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 4' ' ' GLU . 59.5 t -58.77 -45.58 91.19 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.904 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.882 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -61.21 -36.26 79.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.863 0.363 . . . . 0.0 111.476 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 13' ' ' VAL . 94.1 mt -72.52 -43.16 63.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.046 0.451 . . . . 0.0 111.599 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.61 -32.08 20.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.178 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 30.3 t70 -72.53 -23.82 61.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.334 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 10' ' ' LEU . 6.2 p -69.78 -33.46 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.677 176.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -68.61 -40.04 80.56 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.5 ' HB2' ' OXT' ' B' ' 91' ' ' GLU . 13.7 t60 -55.26 -55.37 32.12 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.727 0.811 . . . . 0.0 110.458 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.1 mt-30 -57.24 -56.95 15.15 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.947 0.899 . . . . 0.0 112.303 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -93.54 16.23 14.16 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -49.86 108.8 0.23 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -88.42 88.36 1.54 Allowed Glycine 0 N--CA 1.429 -1.813 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 176.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -52.82 -34.8 55.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -171.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' NE ' ' A' ' 20' ' ' ARG . 57.1 mm-40 -110.33 -67.98 0.96 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.25 -31.09 68.69 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 114.704 0.642 . . . . 0.0 114.704 -174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 4.3 m-20 -98.21 9.98 41.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 117.002 0.401 . . . . 0.0 111.892 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 65.79 25.12 11.37 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 121.953 0.882 . . . . 0.0 109.782 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 14.5 t-80 81.85 -9.4 1.23 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.348 1.859 . . . . 0.0 112.021 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -101.82 -139.13 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.55 127.77 30.06 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 172.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 10.7 ptmt -77.25 155.93 31.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-O 121.656 0.741 . . . . 0.0 111.296 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 26.3 ttpt -63.23 -30.33 71.5 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.699 -1.137 . . . . 0.0 112.594 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -67.27 -31.02 71.06 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.91 0.386 . . . . 0.0 110.023 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 28' ' ' LYS . 12.4 mm-40 -81.48 -18.92 43.48 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.081 -0.387 . . . . 0.0 110.115 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.78 -29.47 69.45 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB2' HD23 ' A' ' 60' ' ' LEU . 2.8 tmmm? -55.92 -55.46 32.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.771 0.796 . . . . 0.0 110.16 174.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.55 -34.33 77.66 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.3 -52.64 64.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.625 HG22 HD12 ' A' ' 40' ' ' LEU . 20.6 pt -65.94 -39.96 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -54.28 -36.36 63.57 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -110.01 -55.14 2.49 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -76.2 -18.17 59.19 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.43 0.692 . . . . 0.0 112.183 -168.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.625 HD12 HG22 ' A' ' 36' ' ' ILE . 3.5 tt -100.83 -55.07 2.66 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 t -40.32 124.86 2.0 Allowed 'General case' 0 C--O 1.241 0.627 0 C-N-CA 125.533 1.533 . . . . 0.0 114.294 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' ND1' ' HG2' ' B' ' 4' ' ' GLU . 50.0 p-80 -171.9 118.39 0.41 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.462 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 43.85 73.71 0.14 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.943 1.297 . . . . 0.0 113.175 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 98.6 mt -110.46 -176.09 2.89 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.469 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 72.36 19.1 4.42 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.857 1.663 . . . . 0.0 111.834 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -129.38 -15.42 4.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.733 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 81' ' ' THR . 56.4 mt -96.35 -84.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.535 -171.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.6 69.8 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -28.21 1.84 Allowed 'General case' 0 C--N 1.27 -2.873 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.152 -170.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -53.91 -36.33 62.6 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.7 -46.97 28.19 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.41 0.624 . . . . 0.0 109.453 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.75 -47.59 90.31 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.232 -173.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 57' ' ' MET . 87.4 t -56.28 -45.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 123.557 0.536 . . . . 0.0 111.245 -176.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.65 -44.53 90.12 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -64.34 -37.47 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.465 . . . . 0.0 110.139 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.49 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 3.5 t -57.49 -53.28 46.28 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 124.516 1.126 . . . . 0.0 110.108 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.5 mmt -59.73 -37.37 78.73 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 123.317 0.386 . . . . 0.0 111.458 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.28 -61.52 2.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.966 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.9 p -61.98 -43.49 98.74 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.313 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 14.0 tp -52.37 -46.48 66.2 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 124.025 0.93 . . . . 0.0 111.483 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -88.32 -33.62 17.94 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.06 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -71.53 -31.0 66.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.989 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.55 -48.88 77.54 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.12 43.03 97.79 Favored Glycine 0 C--O 1.249 1.073 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 171.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -87.44 155.04 20.19 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 117.111 0.455 . . . . 0.0 110.821 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.73 -14.41 78.07 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.759 -0.655 . . . . 0.0 114.247 -175.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 12.4 pt-20 -143.28 177.39 8.45 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.252 0.549 . . . . 0.0 111.41 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 11.7 t -142.33 134.06 26.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 173.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -98.88 166.01 11.5 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.692 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -57.96 -32.18 67.6 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.186 0.517 . . . . 0.0 110.631 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -66.1 -38.56 88.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.764 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 45.4 mt-10 -69.25 -40.09 78.06 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.279 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.6 ' O ' HG12 ' A' ' 77' ' ' VAL . 5.2 m-85 -53.2 -53.19 54.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.5 0.5 . . . . 0.0 110.605 174.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.46 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -54.71 -48.9 71.92 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.004 0.815 . . . . 0.0 111.593 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -59.69 -53.48 57.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.685 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 79.8 m-85 -62.96 -46.46 87.61 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -66.49 -46.71 85.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.829 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -73.86 -28.64 61.68 Favored 'General case' 0 C--N 1.305 -1.336 0 C-N-CA 119.239 -0.985 . . . . 0.0 111.741 -175.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 27.1 ptt? -77.77 -23.59 49.18 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.011 -1.476 . . . . 0.0 111.853 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -82.3 -52.76 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.044 176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 47' ' ' ILE . 22.9 m -86.04 -41.76 14.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 50.6 m -86.8 -39.76 15.6 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.682 -0.636 . . . . 0.0 112.43 -172.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.96 71.9 2.09 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.2 t -84.68 -47.6 10.31 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 103.751 -2.685 . . . . 0.0 103.751 168.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -150.25 167.3 27.35 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -77.5 88.01 3.84 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 119.05 0.841 . . . . 0.0 112.87 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 59.39 70.89 0.61 Allowed 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 113.976 -1.465 . . . . 0.0 112.456 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.45 -60.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.366 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -73.9 -3.64 30.18 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -139.25 -49.39 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 122.067 -0.395 . . . . 0.0 111.146 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.498 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 47.4 mt-10 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 -164.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 16.9 m . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 120.942 0.401 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -77.91 -38.78 44.89 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.32 -37.92 89.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.464 ' HG2' ' ND1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -58.01 -53.98 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.097 1.359 . . . . 0.0 108.891 177.398 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -59.39 -41.11 88.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.287 0.635 . . . . 0.0 111.389 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 10' ' ' LEU . . . -58.9 -48.21 82.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.892 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.593 ' SD ' HG22 ' A' ' 77' ' ' VAL . 34.0 ttp -59.62 -46.62 88.45 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.866 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.59 -48.62 86.7 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.921 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.234 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -58.5 -34.07 70.53 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.773 0.321 . . . . 0.0 111.555 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.615 ' O ' HG12 ' B' ' 13' ' ' VAL . 92.9 mt -74.24 -45.13 49.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.948 0.404 . . . . 0.0 111.745 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 pt -74.84 -31.03 25.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.488 0.661 . . . . 0.0 110.967 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 33.8 t70 -73.01 -23.76 60.66 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.362 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.615 HG12 ' O ' ' B' ' 10' ' ' LEU . 9.7 p -70.94 -32.74 49.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 118.908 -1.117 . . . . 0.0 108.649 176.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -68.75 -35.52 77.21 Favored 'General case' 0 C--O 1.197 -1.707 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 15.3 t60 -59.68 -54.66 43.79 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.699 0.8 . . . . 0.0 110.998 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 79.3 mt-30 -60.93 -48.67 80.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.526 -178.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.36 27.47 6.21 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.831 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.4 p -60.98 105.15 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.27 89.66 1.39 Allowed Glycine 0 N--CA 1.431 -1.681 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -35.91 63.08 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 115.302 1.594 . . . . 0.0 115.302 -169.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -114.94 -52.08 2.71 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.11 -27.64 69.84 Favored Glycine 0 N--CA 1.461 0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.915 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.438 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 7.5 m-20 -101.13 9.47 41.97 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 122.841 -0.211 . . . . 0.0 110.674 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 83.7 tttt 64.03 26.44 14.05 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.111 0.958 . . . . 0.0 109.647 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 80.21 -6.86 1.69 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.85 2.06 . . . . 0.0 111.905 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -103.6 -138.65 0.35 Allowed 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 176.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -136.16 126.4 26.44 Favored 'General case' 0 CA--C 1.478 -1.823 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 172.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 10.9 ptmt -75.19 158.88 32.29 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.553 0.692 . . . . 0.0 111.56 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -63.78 -33.77 76.41 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.397 -174.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.07 -30.3 71.24 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 121.542 0.687 . . . . 0.0 109.936 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.51 -18.6 41.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.543 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.496 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.3 tm? -63.05 -28.08 69.84 Favored 'General case' 0 C--O 1.21 -0.979 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -56.3 -56.49 20.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.671 0.748 . . . . 0.0 110.364 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.83 -34.57 78.68 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.94 -49.34 77.84 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.369 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.612 HG22 HD12 ' B' ' 40' ' ' LEU . 21.2 pt -70.34 -37.82 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -57.07 -40.54 77.08 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -105.88 -52.13 2.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.97 -18.25 50.85 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.972 0.509 . . . . 0.0 112.356 -169.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.612 HD12 HG22 ' B' ' 36' ' ' ILE . 3.6 tt -99.77 -55.33 2.68 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.3 t -41.71 128.52 3.31 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 125.084 1.354 . . . . 0.0 114.578 -170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.5 ' ND1' ' HG2' ' A' ' 4' ' ' GLU . 54.3 p-80 -173.17 120.81 0.36 Allowed 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 114.362 -1.29 . . . . 0.0 107.955 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 40.94 73.38 0.13 Allowed 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.962 1.305 . . . . 0.0 113.526 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 98.7 mt -109.59 -174.01 2.4 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.432 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 74.28 11.0 4.25 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.736 1.614 . . . . 0.0 111.574 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -121.54 -17.82 7.41 Favored 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.836 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.435 HG21 ' O ' ' B' ' 81' ' ' THR . 54.9 mt -93.74 -85.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.353 -172.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.43 68.68 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -21.78 2.74 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.329 -172.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -56.18 -33.11 64.96 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.43 -51.24 10.33 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 41.2 t -60.2 -47.75 90.89 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.162 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.602 -172.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' B' ' 57' ' ' MET . 94.8 t -56.67 -43.66 79.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 O-C-N 123.406 0.441 . . . . 0.0 111.766 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.54 -39.53 77.41 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -66.32 -37.85 86.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 3.6 t -57.16 -54.74 26.4 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 C-N-CA 124.502 1.121 . . . . 0.0 110.111 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.5 mmt -59.0 -36.36 74.79 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 123.252 0.345 . . . . 0.0 111.467 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.65 -61.85 1.85 Allowed 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -64.0 -42.48 97.17 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.481 HD11 HD12 ' B' ' 32' ' ' LEU . 13.6 tp -51.67 -51.02 59.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.797 0.839 . . . . 0.0 110.98 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.05 -37.91 28.27 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.601 -1.181 . . . . 0.0 112.093 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -69.04 -35.26 76.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.639 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.55 -45.84 90.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.0 56.72 21.71 Favored Glycine 0 CA--C 1.502 -0.773 0 CA-C-N 114.542 -1.208 . . . . 0.0 114.465 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -98.01 152.08 19.65 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.3 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.69 -20.2 67.96 Favored Glycine 0 N--CA 1.438 -1.21 0 N-CA-C 114.958 0.743 . . . . 0.0 114.958 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 10.1 pt-20 -139.89 173.36 11.61 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 117.912 0.856 . . . . 0.0 112.202 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.445 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.5 t -139.34 131.36 27.9 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 105.607 -1.998 . . . . 0.0 105.607 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -97.73 169.13 9.89 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.169 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -59.64 -31.6 69.66 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.121 0.486 . . . . 0.0 111.044 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -66.5 -36.33 82.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.628 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.509 ' O ' ' HD2' ' B' ' 76' ' ' PHE . 44.3 mt-10 -71.25 -40.76 70.8 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 120.465 -0.494 . . . . 0.0 109.73 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.614 ' O ' HG12 ' B' ' 77' ' ' VAL . 5.3 m-85 -53.18 -54.49 35.13 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.395 0.435 . . . . 0.0 110.754 174.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.42 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -54.23 -48.5 71.01 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 124.008 0.817 . . . . 0.0 111.951 178.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -59.48 -53.52 57.17 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.618 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.509 ' HD2' ' O ' ' B' ' 72' ' ' GLU . 81.0 m-85 -62.78 -46.9 85.83 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.614 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.2 p -66.13 -47.19 85.6 Favored 'Isoleucine or valine' 0 C--O 1.245 0.853 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.419 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.283 -0.967 . . . . 0.0 111.686 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 27.6 ptt? -76.51 -23.48 53.72 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.293 -1.363 . . . . 0.0 111.961 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 m -82.41 -52.53 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 119.406 -0.918 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.435 ' O ' HG21 ' B' ' 47' ' ' ILE . 22.3 m -85.87 -40.81 15.56 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 61.3 m -89.0 -38.64 14.28 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.52 -0.738 . . . . 0.0 112.477 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.45 75.59 1.93 Allowed 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 42.2 t -90.32 -44.92 9.37 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.0 -2.593 . . . . 0.0 104.0 168.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -155.01 166.65 32.91 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 102.797 -3.038 . . . . 0.0 102.797 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.86 88.13 2.86 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 55.89 76.73 0.27 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.677 1.591 . . . . 0.0 112.209 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -136.05 -64.51 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 122.203 -0.31 . . . . 0.0 111.004 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.08 -26.05 65.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.208 0.528 . . . . 0.0 111.592 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -116.22 -46.38 2.8 Favored 'General case' 0 N--CA 1.423 -1.787 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.755 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.5 ' OXT' ' HB2' ' A' ' 15' ' ' HIS . 45.4 mt-10 . . . . . 0 C--O 1.239 0.534 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 -164.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 17.2 m . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.171 0.51 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.79 -28.42 24.52 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' B' ' 40' ' ' LEU . 2.7 tm? -69.12 -40.89 78.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.182 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.1 pt-20 -56.69 -44.11 81.17 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -61.4 -45.84 92.67 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.782 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.02 96.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.432 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' HG22 ' B' ' 77' ' ' VAL . 57.0 ttp -65.26 -43.35 91.59 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 120.939 0.399 . . . . 0.0 110.753 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 4' ' ' GLU . 78.0 t -60.85 -45.37 98.19 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.051 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -57.45 -52.18 66.43 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 122.814 0.446 . . . . 0.0 111.449 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -56.49 -47.9 78.29 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 121.258 0.551 . . . . 0.0 111.536 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.11 -41.9 67.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.315 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 17.6 t70 -76.85 -25.28 52.97 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 9' ' ' ALA . 71.3 t -66.05 -36.44 77.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.835 174.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -72.17 -23.71 61.32 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.216 172.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 50.3 t60 -65.77 -40.63 92.2 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-O 121.368 0.604 . . . . 0.0 109.845 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -68.24 -15.27 63.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.224 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.71 146.69 29.87 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.511 0.672 . . . . 0.0 109.703 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.8 m -87.7 6.88 32.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.169 0.509 . . . . 0.0 111.725 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 50.68 0.75 Allowed Glycine 0 C--O 1.198 -2.149 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.398 -178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -122.32 -41.65 2.4 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.512 172.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -87.24 -39.29 15.56 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.84 -29.31 74.48 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.224 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -100.21 -165.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 55.1 tttm -81.71 28.38 0.41 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.017 1.727 . . . . 0.0 109.785 -175.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.578 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 24.7 m-70 71.75 8.45 6.11 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.254 1.421 . . . . 0.0 109.927 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -125.97 169.0 13.15 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.99 -17.28 13.63 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' C ' ' HB2' ' A' ' 68' ' ' CYS . 13.7 mptt 74.05 132.49 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 125.134 1.374 . . . . 0.0 108.265 -168.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 85.0 mttt -63.68 -24.2 67.69 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.146 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 27.3 t -56.4 -41.66 76.66 Favored 'General case' 0 C--O 1.199 -1.564 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -76.8 -17.35 59.08 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 121.377 -0.827 . . . . 0.0 113.057 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -61.87 -26.18 67.99 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HB2' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -61.09 -31.2 70.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.075 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -79.69 -33.15 41.34 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.458 0.647 . . . . 0.0 109.981 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.48 -54.36 37.59 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.285 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' A' ' 40' ' ' LEU . 11.9 pt -63.2 -34.59 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.86 -30.38 70.09 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.696 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -102.91 -57.8 1.98 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 43.5 mm-40 -82.82 -11.19 58.44 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -171.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' A' ' 77' ' ' VAL . 1.4 tt -78.59 -39.44 37.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.887 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.5 m -31.65 97.58 0.01 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.373 1.869 . . . . 0.0 114.89 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.444 ' HD2' ' OE1' ' B' ' 4' ' ' GLU . 48.3 t-80 -140.89 82.54 1.85 Allowed 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.554 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 54.31 73.8 0.37 Allowed 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.334 1.021 . . . . 0.0 110.441 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 HD22 ' H ' ' A' ' 44' ' ' LEU . 2.4 mm? -60.07 -31.85 70.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.962 -172.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 26.0 mp0 -69.26 -26.19 64.65 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.086 0.47 . . . . 0.0 111.427 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -88.06 -19.47 27.05 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 121.049 0.452 . . . . 0.0 112.148 -173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -104.44 179.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.134 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -77.35 -81.22 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 53' ' ' VAL . 62.8 mt-10 58.27 -67.84 0.03 OUTLIER 'General case' 0 C--O 1.193 -1.887 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -50.62 -39.19 49.65 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -163.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.93 -35.09 64.57 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.62 0.724 . . . . 0.0 109.676 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG12 HG23 ' A' ' 56' ' ' VAL . 21.3 t -86.91 -31.25 6.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.121 -171.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 57' ' ' MET . 86.4 t -54.21 -53.78 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.232 0.613 . . . . 0.0 111.443 -175.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.6 -41.29 97.22 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 123.503 0.502 . . . . 0.0 111.189 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -66.12 -42.42 89.2 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.453 HG23 HG12 ' A' ' 52' ' ' VAL . 3.5 t -58.21 -49.5 81.51 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.213 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.866 174.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -58.11 -39.78 79.54 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.56 -52.22 58.77 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.247 0.546 . . . . 0.0 110.64 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.2 p -70.41 -44.55 67.69 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 23.7 tp -56.63 -49.2 75.69 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 124.12 0.968 . . . . 0.0 110.751 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.64 -35.62 67.82 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.587 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -80.14 -41.34 25.58 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.28 -48.07 45.28 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.506 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -81.46 62.68 4.46 Favored Glycine 0 CA--C 1.498 -1.029 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.5 -176.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.71 -37.05 85.35 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 124.386 1.074 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' HA2' ' HE3' ' A' ' 28' ' ' LYS . . . -131.78 -32.52 0.46 Allowed Glycine 0 N--CA 1.431 -1.654 0 C-N-CA 120.031 -1.08 . . . . 0.0 114.219 -177.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 6.6 mm-40 -114.49 149.1 36.89 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 120.16 -0.616 . . . . 0.0 112.123 -171.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.559 ' HB2' ' C ' ' A' ' 28' ' ' LYS . 45.4 t -149.25 123.23 9.39 Favored 'General case' 0 CA--C 1.474 -1.948 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 162.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.6 -176.73 3.03 Favored 'General case' 0 C--N 1.283 -2.315 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' A' ' 73' ' ' PHE . 2.1 p90 -75.73 -17.68 59.84 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.214 0.53 . . . . 0.0 111.905 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -77.15 -38.38 51.99 Favored 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.043 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' HG2' ' HE2' ' A' ' 29' ' ' LYS . 2.4 mp0 -71.84 -29.58 64.55 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -55.55 -54.23 46.65 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 174.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -47.45 85.66 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.474 0.654 . . . . 0.0 111.34 175.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.21 -57.91 10.97 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.253 74.8 m-85 -66.25 -37.65 86.0 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -174.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.627 HG23 ' HG ' ' A' ' 40' ' ' LEU . 4.7 p -64.87 -47.63 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.009 -0.676 . . . . 0.0 111.346 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.11 76.75 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.598 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 27.1 ptm -79.36 -23.25 43.49 Favored 'General case' 0 C--O 1.196 -1.726 0 C-N-CA 119.507 -0.877 . . . . 0.0 112.33 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.16 -37.75 13.22 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.963 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.543 ' OG1' HD21 ' A' ' 40' ' ' LEU . 94.5 m -74.55 -59.25 2.81 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.145 0.578 . . . . 0.0 112.221 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 m -86.45 -60.66 1.93 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -173.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 58.59 128.2 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 176.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.5 t 68.85 -46.32 0.55 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.851 1.661 . . . . 0.0 113.351 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -117.7 85.32 2.32 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 123.538 0.735 . . . . 0.0 109.562 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.64 152.74 44.94 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.406 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.06 -18.15 0.38 Allowed 'General case' 0 C--O 1.178 -2.69 0 CA-C-O 118.191 -0.909 . . . . 0.0 113.059 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -42.63 -37.28 1.65 Allowed 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 125.014 1.326 . . . . 0.0 113.812 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.77 -25.14 65.47 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -130.72 -61.97 0.93 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.687 0.395 . . . . 0.0 111.825 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 117.48 -1.248 . . . . 0.0 111.597 -172.22 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.591 ' O ' ' HG2' ' B' ' 4' ' ' GLU . 26.9 m . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.119 0.485 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -85.03 -27.66 26.24 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 40' ' ' LEU . 2.6 tm? -67.68 -41.02 84.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.303 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' B' ' 1' ' ' SER . 15.3 pt-20 -58.38 -42.15 86.39 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -62.52 -44.76 95.58 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.975 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.83 92.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.201 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.505 ' SD ' HG22 ' A' ' 77' ' ' VAL . 57.7 ttp -64.22 -44.13 92.84 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.003 0.43 . . . . 0.0 110.57 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.56 -43.85 95.41 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.618 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.409 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -57.24 -53.05 62.51 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.286 0.366 . . . . 0.0 111.526 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.56 -47.11 80.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.244 0.545 . . . . 0.0 111.487 -177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.97 -42.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.225 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 19.2 t70 -76.98 -22.71 52.75 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 9' ' ' ALA . 63.3 t -67.87 -37.38 78.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 121.659 -0.651 . . . . 0.0 109.591 173.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -71.68 -26.79 62.66 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.947 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 69.3 t60 -62.25 -43.47 98.76 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 121.348 0.594 . . . . 0.0 109.915 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -63.18 -22.71 67.04 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.885 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -76.18 144.66 40.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.18 0.514 . . . . 0.0 110.829 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.7 m -79.22 2.35 21.46 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.16 58.11 0.42 Allowed Glycine 0 C--O 1.198 -2.14 0 C-N-CA 119.637 -1.268 . . . . 0.0 114.089 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -127.1 -46.16 1.53 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.248 172.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.36 -40.77 20.89 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.77 Favored Glycine 0 N--CA 1.441 -1.022 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.918 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.36 -163.71 1.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' B' ' 24' ' ' LYS . 58.1 tttm -83.45 29.74 0.5 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.891 1.676 . . . . 0.0 109.122 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' B' ' 20' ' ' ARG . 31.8 m-70 70.48 7.37 6.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.91 1.284 . . . . 0.0 109.906 -175.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.418 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 8.9 mmpt? -123.78 172.27 8.99 Favored 'General case' 0 C--O 1.204 -1.3 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.44 -18.54 12.42 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.528 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.7 mptt 73.53 131.82 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.17 1.388 . . . . 0.0 108.175 -168.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 81.3 mttt -63.68 -22.55 66.96 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 122.176 -0.328 . . . . 0.0 111.173 -176.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 34.0 t -56.93 -43.56 81.6 Favored 'General case' 0 C--O 1.205 -1.284 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -75.14 -17.15 60.46 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.469 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -62.43 -26.31 68.43 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 172.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.594 ' HB2' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -60.99 -34.16 74.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.613 174.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -74.13 -38.42 63.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.494 0.664 . . . . 0.0 109.476 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.38 -54.36 46.55 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.776 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.469 HG12 ' O ' ' B' ' 32' ' ' LEU . 12.7 pt -64.04 -32.1 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -58.41 -31.44 67.7 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.325 0.583 . . . . 0.0 110.836 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -106.56 -60.66 1.63 Allowed 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 49.3 mm-40 -78.19 -8.69 58.62 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -171.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.63 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.5 tt -80.74 -38.06 29.4 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.962 -176.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -31.51 93.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.649 1.98 . . . . 0.0 115.251 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -139.49 80.23 1.76 Allowed 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.804 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 57.22 74.71 0.4 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.429 1.091 . . . . 0.0 111.089 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.457 ' H ' HD22 ' B' ' 44' ' ' LEU . 2.3 mm? -60.7 -35.66 76.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.537 -172.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.02 -20.34 64.99 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.485 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.15 3.28 40.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.852 -173.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.9 pt -126.68 173.07 13.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.092 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -72.41 -78.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.454 ' O ' HG23 ' B' ' 53' ' ' VAL . 60.0 mt-10 54.02 -71.59 0.01 OUTLIER 'General case' 0 C--O 1.187 -2.226 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 177.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.13 -41.06 25.58 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -163.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.97 -38.9 76.2 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.958 0.885 . . . . 0.0 109.994 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.414 HG12 HG23 ' B' ' 56' ' ' VAL . 23.3 t -84.4 -30.21 7.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.946 -171.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' B' ' 57' ' ' MET . 86.6 t -54.27 -53.09 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.264 0.625 . . . . 0.0 111.383 -175.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 31.4 m-20 -65.58 -37.5 86.84 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.026 -176.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -68.39 -39.77 81.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.386 0.612 . . . . 0.0 109.702 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.414 HG23 HG12 ' B' ' 52' ' ' VAL . 3.5 t -59.66 -49.66 82.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.192 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.555 173.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.594 ' SD ' ' HB2' ' B' ' 33' ' ' LYS . 24.2 mmt -58.09 -38.34 76.23 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 42.6 mt-10 -63.46 -54.75 31.56 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 110.388 177.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 14.9 p -69.65 -45.56 68.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 21.8 tp -55.95 -47.13 78.15 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.237 1.015 . . . . 0.0 110.747 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.16 -36.97 64.14 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.499 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -78.06 -43.05 30.33 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 120.98 0.419 . . . . 0.0 112.025 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.2 -41.08 58.64 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.851 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.525 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -84.9 60.74 4.77 Favored Glycine 0 CA--C 1.495 -1.165 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.815 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.11 -37.99 89.24 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 124.472 1.109 . . . . 0.0 111.061 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.19 -29.07 0.52 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.27 -0.967 . . . . 0.0 114.031 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 9.3 mm-40 -114.86 148.21 38.86 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -171.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C ' ' B' ' 28' ' ' LYS . 42.1 t -150.81 123.17 8.39 Favored 'General case' 0 CA--C 1.476 -1.901 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 162.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -117.64 -174.63 2.66 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -77.08 -17.65 58.56 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -76.91 -36.32 56.73 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 119.273 -0.971 . . . . 0.0 109.745 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.95 -30.06 62.34 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.555 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -55.8 -52.76 62.85 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.452 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -48.01 83.44 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.414 0.626 . . . . 0.0 111.353 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.48 -55.93 28.36 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.413 ' HA ' ' HG2' ' B' ' 79' ' ' MET 0.268 74.0 m-85 -67.4 -36.65 81.72 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -174.133 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.63 HG23 ' HG ' ' B' ' 40' ' ' LEU . 4.6 p -65.87 -46.69 87.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.213 177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.17 78.42 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.608 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 26.6 ptm -78.9 -23.08 45.0 Favored 'General case' 0 C--O 1.197 -1.671 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.497 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.98 -38.7 14.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 118.048 -1.461 . . . . 0.0 109.904 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.515 ' OG1' HD21 ' B' ' 40' ' ' LEU . 91.8 m -74.32 -59.41 2.74 Favored 'General case' 0 C--O 1.251 1.17 0 C-N-CA 123.03 0.532 . . . . 0.0 112.223 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 19.2 m -85.32 -63.5 1.32 Allowed 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.887 -174.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 60.96 127.7 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.5 t 69.15 -45.02 0.55 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.945 1.698 . . . . 0.0 113.307 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -120.94 80.66 1.67 Allowed 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 123.609 0.763 . . . . 0.0 110.213 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -64.93 150.27 48.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.362 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 74.51 -13.59 0.79 Allowed 'General case' 0 C--O 1.179 -2.62 0 CA-C-O 118.268 -0.872 . . . . 0.0 112.79 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -47.32 -35.23 7.74 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.004 0.922 . . . . 0.0 113.258 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.72 -22.24 62.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -129.16 -64.16 0.92 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 119.196 -0.43 . . . . 0.0 111.735 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.012 -173.509 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' B' ' 39' ' ' GLU . 16.2 m . . . . . 0 C--O 1.257 1.462 0 CA-C-O 121.581 0.705 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.74 -44.93 70.33 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 125.336 1.455 . . . . 0.0 112.004 -173.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 40' ' ' LEU . 4.6 mm? -66.53 -28.64 68.71 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.79 -58.92 6.13 Favored 'General case' 0 CA--C 1.506 -0.714 0 O-C-N 123.398 0.436 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -25.33 67.08 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.49 -55.62 5.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 47.1 ttp -68.52 -34.61 76.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -66.13 -30.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB1' ' HG3' ' B' ' 2' ' ' GLU . . . -71.02 -35.04 71.87 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.602 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.93 -34.59 78.47 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 70.7 mt -71.76 -41.22 70.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.281 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.602 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 30.1 t70 -64.37 -29.71 70.77 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.97 0.891 . . . . 0.0 110.295 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.89 -35.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 13.4 m-85 -80.52 -9.37 59.77 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.814 0.816 . . . . 0.0 109.702 177.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 17.7 t60 -83.03 -43.46 16.31 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.584 HE21 ' HA ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -76.27 -46.44 27.98 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.483 179.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -96.33 126.06 41.27 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.6 t -151.39 106.74 3.33 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-O 121.379 0.609 . . . . 0.0 111.553 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.93 53.77 1.91 Allowed Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.558 ' HG3' ' OE1' ' A' ' 21' ' ' GLU . 4.4 ptt180 -59.37 -52.44 65.6 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.437 -0.881 . . . . 0.0 113.118 -173.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' OE1' ' HG3' ' A' ' 20' ' ' ARG . 8.5 mp0 -90.01 -50.82 5.8 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.187 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.04 -44.35 67.68 Favored Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -171.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' HD3' ' A' ' 28' ' ' LYS . 21.5 m-20 -101.18 34.66 2.46 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 112.045 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt 61.69 33.31 18.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.768 1.227 . . . . 0.0 111.415 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 41.2 t-80 82.94 -1.95 1.26 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.764 1.626 . . . . 0.0 113.295 174.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 7.0 mmpt? -120.91 -171.4 2.18 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.871 -0.518 . . . . 0.0 110.292 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.96 -35.42 13.31 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -171.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 30' ' ' SER . 13.8 mptt 63.99 174.67 0.18 Allowed 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.904 0.859 . . . . 0.0 110.754 -174.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.39 -19.05 59.77 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.929 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 4.7 m -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.26 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.09 -18.4 37.0 Favored 'General case' 0 CA--C 1.502 -0.868 0 C-N-CA 118.433 -1.307 . . . . 0.0 112.081 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD13 HG23 ' A' ' 36' ' ' ILE . 2.2 tm? -62.76 -26.99 68.98 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 174.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 30' ' ' SER . 4.2 ttmm -56.63 -55.49 33.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.47 1.108 . . . . 0.0 110.787 173.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.92 -27.71 68.39 Favored 'General case' 0 C--N 1.293 -1.888 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.243 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 40' ' ' LEU . 29.3 tp -66.05 -58.38 5.62 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.85 176.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' HA ' HD13 ' A' ' 40' ' ' LEU . 10.2 pt -55.66 -41.1 63.37 Favored 'Isoleucine or valine' 0 C--N 1.362 1.116 0 C-N-CA 123.604 0.762 . . . . 0.0 113.024 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -73.58 -33.26 64.55 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -117.21 -78.41 0.58 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -76.96 -12.09 59.9 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.546 0.689 . . . . 0.0 112.691 -169.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 36' ' ' ILE . 8.0 tt -78.35 -42.43 30.55 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.006 0.431 . . . . 0.0 110.279 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 69.3 p -135.01 -166.28 1.8 Allowed 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.942 -166.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -99.58 -47.56 5.06 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 170.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -167.38 -55.92 0.03 OUTLIER 'General case' 0 C--N 1.343 0.291 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.233 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD12 ' HG2' ' A' ' 49' ' ' GLU . 3.0 mm? 68.79 127.75 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.92 1.288 . . . . 0.0 111.569 -173.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -122.63 -86.6 0.65 Allowed 'General case' 0 N--CA 1.409 -2.48 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -169.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -138.54 40.47 2.22 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.174 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -88.35 -49.78 14.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-O 120.74 0.305 . . . . 0.0 111.078 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -174.15 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.529 ' HG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -51.3 -31.23 20.71 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 126.909 2.084 . . . . 0.0 113.68 175.297 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -48.01 -35.32 10.81 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.433 1.093 . . . . 0.0 112.484 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -43.77 69.24 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG11 ' O ' ' A' ' 79' ' ' MET . 22.1 t -81.71 -30.22 10.46 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.493 -174.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 56' ' ' VAL . 77.1 t -60.63 -40.9 86.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.006 0.432 . . . . 0.0 110.742 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.22 -42.63 83.74 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.776 0.798 . . . . 0.0 109.488 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.67 -33.39 75.77 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.304 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 7.4 p -70.49 -35.29 61.18 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.1 mmt -67.47 -39.23 85.26 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.84 -55.22 20.84 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 p -63.13 -39.07 93.61 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.0 0.52 . . . . 0.0 111.28 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.678 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 4.9 tp -51.78 -51.21 58.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.249 1.02 . . . . 0.0 109.794 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -72.23 -38.48 68.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.763 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.88 -59.95 3.88 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.076 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.34 -51.86 13.9 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.414 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.68 -86.68 0.07 OUTLIER Glycine 0 C--O 1.258 1.623 0 O-C-N 123.88 0.738 . . . . 0.0 113.829 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.98 172.28 8.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.63 0.772 . . . . 0.0 109.273 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.51 96.8 2.43 Favored Glycine 1 N--CA 1.394 -4.143 0 N-CA-C 104.45 -3.46 . . . . 0.0 104.45 -169.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.24 101.27 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.284 1.226 . . . . 0.0 111.167 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 t -79.99 122.93 27.34 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -140.6 -159.83 1.0 Allowed 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -51.01 -32.74 22.29 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -72.11 -55.18 7.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.226 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 50.4 mt-10 -68.26 -33.22 73.96 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.544 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 77' ' ' VAL . 8.4 m-85 -54.05 -55.53 26.56 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.325 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.9 99.44 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.308 0.38 . . . . 0.0 111.169 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.67 85.8 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.538 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 32.7 m-85 -76.01 -45.17 35.9 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 73' ' ' PHE . 5.8 p -62.94 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -71.57 -24.33 61.9 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.587 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.607 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 22.3 ptt? -85.12 -29.66 24.65 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 118.809 -1.156 . . . . 0.0 111.398 179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -74.98 -43.13 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.716 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.53 -57.71 3.03 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.397 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 24.1 m -81.63 -68.2 0.71 Allowed 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.491 -175.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 58.91 -84.76 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.819 1.248 . . . . 0.0 111.711 -176.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 58.6 m -135.72 118.3 15.92 Favored 'General case' 0 N--CA 1.414 -2.255 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 36.7 m80 56.06 89.52 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.761 1.764 . . . . 0.0 115.761 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 82' ' ' THR . 76.5 mm-40 -133.84 14.06 3.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 169.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -91.05 16.56 9.4 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.696 -174.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -99.45 -18.58 17.38 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.261 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.98 -67.64 0.69 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.73 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -85.37 -57.28 3.14 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.237 0.413 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -169.432 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.454 ' HB2' ' HG3' ' B' ' 4' ' ' GLU . 12.9 m . . . . . 0 C--O 1.265 1.89 0 CA-C-O 121.292 0.568 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.436 ' HG3' ' HB1' ' A' ' 9' ' ' ALA . 5.4 tp10 -55.53 -43.68 75.97 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.279 1.031 . . . . 0.0 111.998 -172.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 mm? -66.74 -29.29 69.22 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.454 ' HG3' ' HB2' ' B' ' 1' ' ' SER . 50.7 mt-10 -60.19 -58.99 6.17 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 123.475 0.484 . . . . 0.0 110.36 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -24.61 67.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 120.249 -0.58 . . . . 0.0 112.434 -175.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.16 -55.13 5.7 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.266 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 47.7 ttp -68.72 -34.98 76.55 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.76 -30.24 49.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.1 71.49 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.407 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.22 -34.68 78.57 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.4 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 88.7 mt -72.2 -41.65 66.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.079 176.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 32.7 t70 -65.65 -25.52 67.39 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 122.046 0.927 . . . . 0.0 110.309 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.7 -34.82 72.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.574 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 14.5 m-85 -78.77 -13.33 59.87 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.146 0.974 . . . . 0.0 109.001 176.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.576 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 24.9 t60 -77.76 -44.5 27.49 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 114.792 -1.094 . . . . 0.0 108.582 175.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.648 HE21 ' HA ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -75.11 -48.23 24.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.95 121.66 35.64 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -143.17 113.75 7.47 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.376 0.608 . . . . 0.0 110.991 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.67 47.8 1.07 Allowed Glycine 0 CA--C 1.495 -1.209 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 174.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.53 ' HA ' ' HA ' ' B' ' 25' ' ' HIS . 7.8 ptt180 -54.39 -50.68 66.97 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.506 1.122 . . . . 0.0 112.974 -174.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 2.0 mp0 -92.05 -56.07 3.21 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.005 0.431 . . . . 0.0 111.604 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.96 80.58 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 115.6 1.0 . . . . 0.0 115.6 -171.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.59 32.74 2.46 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.566 0.698 . . . . 0.0 112.183 -173.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt 61.88 37.37 15.35 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.467 1.107 . . . . 0.0 111.44 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' B' ' 20' ' ' ARG . 32.4 t-80 79.74 -1.26 2.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.272 1.429 . . . . 0.0 113.138 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 6.5 mmpt? -124.22 -173.78 2.85 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.961 -0.462 . . . . 0.0 110.258 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.84 -36.72 14.05 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -170.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 64.38 175.25 0.19 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.881 0.848 . . . . 0.0 110.856 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -75.54 -19.19 59.49 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.166 174.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 11.7 m -63.54 -36.61 84.35 Favored 'General case' 0 CA--C 1.566 1.56 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.516 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.13 -18.78 33.16 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.32 -1.352 . . . . 0.0 112.126 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.8 -27.8 69.43 Favored 'General case' 0 CA--C 1.563 1.465 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.509 ' HB2' HD21 ' B' ' 60' ' ' LEU . 4.2 ttmm -55.67 -55.76 28.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.737 1.215 . . . . 0.0 110.487 174.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.3 -28.69 69.49 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.411 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' B' ' 40' ' ' LEU . 29.7 tp -66.09 -57.65 7.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.842 177.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.589 HG22 HD13 ' B' ' 40' ' ' LEU . 8.3 pt -55.09 -40.09 53.23 Favored 'Isoleucine or valine' 0 C--N 1.358 0.978 0 C-N-CA 123.35 0.66 . . . . 0.0 112.636 -177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -75.34 -36.95 60.94 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.938 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -110.29 -77.52 0.59 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -170.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 1' ' ' SER . 11.6 tp10 -83.18 -11.43 57.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -168.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.589 HD13 HG22 ' B' ' 36' ' ' ILE . 8.0 tt -78.26 -45.89 21.68 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 121.205 0.526 . . . . 0.0 109.992 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.523 ' HB2' ' CD2' ' B' ' 44' ' ' LEU . 69.4 p -132.99 -168.77 2.13 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.065 -168.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -94.35 -57.68 2.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -157.78 -59.42 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.972 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' B' ' 41' ' ' SER 0.268 3.2 mm? 73.41 127.88 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.71 1.604 . . . . 0.0 111.406 -174.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -125.93 -85.1 0.63 Allowed 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -167.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -138.06 41.23 2.29 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.432 -171.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.92 -53.69 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 122.026 -0.421 . . . . 0.0 111.133 -176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -172.27 -44.76 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.508 ' HG2' HD12 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -49.17 -32.25 9.88 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 126.935 2.094 . . . . 0.0 113.974 173.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -47.63 -34.44 7.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.695 1.198 . . . . 0.0 112.699 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.12 -45.46 63.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.472 HG11 ' O ' ' B' ' 79' ' ' MET . 22.0 t -79.37 -30.8 14.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.412 -174.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 56' ' ' VAL . 92.5 t -60.46 -42.43 91.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.959 0.409 . . . . 0.0 110.508 178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.27 -40.18 93.58 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.802 0.811 . . . . 0.0 109.517 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -69.28 -32.76 72.14 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.113 -0.949 . . . . 0.0 113.358 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.697 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 6.3 p -70.47 -34.08 56.27 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.568 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.6 mmt -68.54 -39.55 81.07 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.72 -56.21 17.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.526 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 15.3 p -63.48 -38.93 93.01 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.805 0.442 . . . . 0.0 111.668 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.697 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 4.9 tp -50.74 -51.45 50.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.168 0.987 . . . . 0.0 109.658 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.0 -41.67 70.64 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 113.791 -1.55 . . . . 0.0 112.192 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.27 -58.32 6.87 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.95 -177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.78 -53.68 9.74 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.037 -174.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -85.82 0.07 OUTLIER Glycine 0 C--O 1.26 1.762 0 CA-C-N 115.683 -0.689 . . . . 0.0 113.816 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.33 168.74 10.06 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.394 1.078 . . . . 0.0 109.578 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.89 96.3 2.44 Favored Glycine 0 N--CA 1.402 -3.617 0 N-CA-C 104.945 -3.262 . . . . 0.0 104.945 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.28 101.74 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 O-C-N 125.46 1.33 . . . . 0.0 111.156 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 t -80.42 119.88 23.7 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.43 -159.85 1.0 Allowed 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -51.54 -35.49 41.04 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -68.47 -51.58 41.91 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.3 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.475 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 50.8 mt-10 -71.02 -34.35 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.163 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.619 ' O ' HG12 ' B' ' 77' ' ' VAL . 8.4 m-85 -54.38 -53.27 56.23 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.28 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -43.05 99.83 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.471 0.482 . . . . 0.0 111.377 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.0 71.06 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.057 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.475 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 32.1 m-85 -68.93 -43.73 74.52 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.619 HG12 ' O ' ' B' ' 73' ' ' PHE . 6.4 p -64.78 -45.36 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.932 0.396 . . . . 0.0 111.982 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -71.83 -26.59 62.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.639 -176.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.589 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 23.1 ptt? -81.86 -32.53 31.05 Favored 'General case' 0 C--O 1.205 -1.287 0 C-N-CA 118.634 -1.226 . . . . 0.0 111.262 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.81 -43.65 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.22 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 57.5 m -84.27 -55.74 4.02 Favored 'General case' 0 N--CA 1.423 -1.822 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.366 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.566 ' HA ' ' HG3' ' B' ' 86' ' ' GLU . 17.8 m -83.27 -69.49 0.63 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.788 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 58.24 -87.4 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.4 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 m -133.43 119.5 19.69 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.7 m80 57.17 89.45 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' B' ' 82' ' ' THR . 75.1 mm-40 -134.93 9.71 3.57 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 169.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -88.69 12.13 15.67 Favored 'General case' 0 C--O 1.202 -1.423 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.482 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -94.59 -14.77 24.66 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.302 0.573 . . . . 0.0 109.703 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.29 -71.43 0.44 Allowed 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.665 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -80.25 -55.15 5.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--O 1.242 0.697 0 O-C-N 125.094 1.496 . . . . 0.0 107.343 -168.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.487 ' HA ' ' OE2' ' A' ' 4' ' ' GLU . 35.9 p . . . . . 0 N--CA 1.447 -0.585 0 CA-C-O 120.591 0.234 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.92 -45.59 67.2 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.92 0.39 . . . . 0.0 110.161 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 3.4 tm? -76.43 -34.14 58.77 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' OE2' ' HA ' ' A' ' 1' ' ' SER . 43.3 mt-10 -54.02 -41.97 68.61 Favored 'General case' 0 C--O 1.221 -0.432 0 O-C-N 124.069 0.856 . . . . 0.0 109.315 177.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.49 -55.33 9.21 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.589 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.53 66.79 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.4 ttp -67.83 -37.2 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.082 0.468 . . . . 0.0 111.167 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.97 -39.04 76.97 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.007 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.88 88.16 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.55 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.26 4.4 pp -66.72 -31.34 71.94 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.3 pt -84.21 -25.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.52 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.77 -39.05 24.7 Favored 'General case' 0 CA--C 1.505 -0.759 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.714 -176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.82 -31.36 53.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -62.27 -53.65 52.1 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -58.59 -52.76 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.956 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -78.63 -9.06 59.24 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.22 -33.7 61.39 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.052 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB2' HD21 ' A' ' 27' ' ' LEU . 49.7 m -150.5 90.53 1.65 Allowed 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.28 -35.34 23.81 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.971 -172.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.494 ' HG3' ' OE2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -64.33 -27.23 68.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 117.858 0.829 . . . . 0.0 111.162 -175.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' OE2' ' HG3' ' A' ' 20' ' ' ARG . 1.1 pm0 -97.56 -54.12 3.23 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.68 -45.51 78.07 Favored Glycine 0 C--N 1.314 -0.64 0 O-C-N 124.22 0.95 . . . . 0.0 114.755 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.51 -20.61 66.07 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.455 0.645 . . . . 0.0 111.421 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -99.62 -45.46 5.77 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.871 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -150.36 40.52 0.77 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.224 -0.591 . . . . 0.0 110.887 -173.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.44 -170.39 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.366 0.603 . . . . 0.0 110.086 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 18' ' ' SER . 91.0 mt -115.51 138.27 51.2 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 174.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HD2' ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -75.32 155.02 37.02 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.314 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 63.0 mttp -57.63 -25.35 60.01 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -176.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.597 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 1.5 m -63.07 -25.64 68.46 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 122.861 0.464 . . . . 0.0 110.578 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.53 -28.23 26.82 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.865 0.84 . . . . 0.0 109.169 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.2 tm? -64.14 -27.75 69.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.053 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -52.33 -45.86 65.82 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 124.854 1.262 . . . . 0.0 111.816 175.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.546 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 46.8 mt-10 -77.28 -33.5 55.79 Favored 'General case' 0 C--N 1.281 -2.386 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.279 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' HD13 ' A' ' 40' ' ' LEU . 37.6 tp -66.16 -33.03 74.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.83 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.667 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 7.6 pt -73.44 -38.34 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 176.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.59 -30.81 70.91 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 123.673 0.608 . . . . 0.0 111.414 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.46 -55.58 2.37 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -173.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -102.82 -50.85 3.43 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.472 -173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.667 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.7 mp -63.81 -35.36 80.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -125.54 102.21 7.27 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -110.26 20.37 17.9 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 79.2 m-85 -119.61 -60.13 1.75 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.623 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp 65.2 -59.24 0.27 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.565 1.546 . . . . 0.0 114.811 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.92 -23.73 44.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.371 0.605 . . . . 0.0 111.81 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 21.7 mm-40 -83.2 -168.74 2.21 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 173.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 48' ' ' LYS . 3.3 mt 59.68 -144.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' H ' HG22 ' A' ' 47' ' ' ILE . 24.9 tptp -169.98 83.58 0.11 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.1 pt-20 -146.15 7.36 1.03 Allowed 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.829 -170.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.89 -28.61 69.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -74.78 -50.98 15.33 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 80' ' ' VAL . 48.1 t -64.25 -39.81 86.83 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.738 -175.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.483 ' O ' ' HG2' ' A' ' 57' ' ' MET . 74.2 t -57.19 -40.41 73.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 O-C-N 123.423 0.452 . . . . 0.0 111.529 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -68.74 -43.3 76.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.824 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.03 -36.52 84.25 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.964 0.888 . . . . 0.0 109.952 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.58 -44.75 97.4 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.91 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.137 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.5 mmt -63.74 -22.6 66.99 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -76.66 -59.16 2.89 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.781 0.801 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 p -64.75 -41.6 95.79 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.804 -176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 18.4 tp -59.31 -39.7 83.87 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 123.249 0.62 . . . . 0.0 110.335 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -71.16 -47.61 56.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.704 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -54.98 14.86 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.005 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.13 -14.54 61.4 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 121.387 0.613 . . . . 0.0 111.211 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 29' ' ' LYS . . . -77.05 51.93 3.25 Favored Glycine 0 C--N 1.301 -1.383 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.157 175.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -82.47 -36.54 26.41 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 120.972 0.415 . . . . 0.0 111.019 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.34 -62.3 0.12 Allowed Glycine 0 C--N 1.303 -1.281 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.164 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.42 -179.24 6.29 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.333 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -125.75 122.74 37.11 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HB3' ' HG3' ' A' ' 72' ' ' GLU . 17.5 t70 -80.78 162.07 24.22 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -60.34 -31.06 69.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.473 0.654 . . . . 0.0 110.484 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -70.27 -36.9 74.71 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.049 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 69' ' ' ASP . 55.2 mt-10 -72.2 -26.91 62.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.363 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' HG12 ' A' ' 77' ' ' VAL . 4.6 t80 -56.08 -58.86 6.13 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -41.54 99.27 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.014 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.25 -55.09 37.53 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -65.74 -41.63 91.93 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 73' ' ' PHE . 14.9 p -74.48 -40.34 48.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.083 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.89 -26.81 61.57 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 121.707 -0.62 . . . . 0.0 111.138 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -79.67 -26.77 40.89 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 118.067 -1.453 . . . . 0.0 112.053 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 52' ' ' VAL . 26.9 m -76.51 -53.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.553 176.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.465 ' HA ' HG21 ' A' ' 47' ' ' ILE . 55.5 m -82.95 -38.43 22.75 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.0 m -99.47 -50.12 4.2 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.55 -24.65 57.31 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -173.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.409 ' SG ' HG21 ' A' ' 52' ' ' VAL . 65.8 m -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -132.79 -21.4 2.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.091 -0.381 . . . . 0.0 111.013 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 60.8 83.35 0.15 Allowed 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.42 1.088 . . . . 0.0 108.859 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.565 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 92.1 m-85 55.57 -102.1 0.14 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.454 -1.248 . . . . 0.0 109.914 -175.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 t80 59.87 -64.39 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 126.644 1.978 . . . . 0.0 113.034 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.45 -30.81 70.63 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.406 1.083 . . . . 0.0 108.648 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -108.84 -56.75 2.23 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.608 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 7.5 mm-40 . . . . . 0 N--CA 1.476 0.868 0 O-C-N 124.548 1.155 . . . . 0.0 108.331 -173.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' B' ' 5' ' ' LYS . 15.2 p . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.931 0.396 . . . . 0.0 110.317 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 3.4 tm? -75.8 -33.94 60.15 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.94 -39.08 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.894 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 1' ' ' SER . 53.2 mtmt -72.9 -56.49 5.12 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.682 174.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.28 68.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 51.6 ttp -68.49 -37.99 80.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.943 0.401 . . . . 0.0 111.406 -176.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.24 -38.24 69.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.727 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.82 90.41 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 122.799 0.44 . . . . 0.0 111.62 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . 0.262 4.3 pp -67.79 -30.75 70.26 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 38.0 pt -84.39 -27.09 7.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 119.34 -0.944 . . . . 0.0 110.583 175.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -76.64 -42.32 42.47 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.508 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.37 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -64.26 -54.39 34.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -58.11 -52.44 65.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.002 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.9 -9.18 59.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.318 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.43 ' HB3' ' CD ' ' B' ' 21' ' ' GLU . 49.0 m -151.63 93.95 1.93 Allowed 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.2 -10.04 59.98 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.45 ' HG3' ' OE1' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -82.02 -24.45 35.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 118.878 1.339 . . . . 0.0 109.32 -179.281 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.45 ' OE1' ' HG3' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -102.75 -55.55 2.41 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.249 178.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.54 -44.36 67.67 Favored Glycine 0 N--CA 1.467 0.756 0 O-C-N 124.103 0.877 . . . . 0.0 114.15 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -62.81 -26.42 68.73 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.463 0.649 . . . . 0.0 111.183 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -96.48 -54.62 3.19 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.01 -173.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -142.02 41.2 1.66 Allowed 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.557 -173.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mmpp? 62.95 -172.79 0.16 Allowed 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.399 0.618 . . . . 0.0 110.599 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' B' ' 18' ' ' SER . 90.0 mt -112.99 140.04 48.14 Favored 'General case' 0 CA--C 1.473 -2.013 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -77.84 155.79 30.81 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.547 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.447 ' HB3' ' CD1' ' B' ' 60' ' ' LEU . 63.8 mttp -57.44 -25.32 59.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.568 ' O ' ' HE3' ' B' ' 33' ' ' LYS . 9.5 m -64.37 -24.86 67.79 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -84.53 -26.48 28.04 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 122.011 0.91 . . . . 0.0 108.917 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.447 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.2 tm? -66.42 -27.68 68.03 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.38 -1.282 . . . . 0.0 108.051 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.568 ' HE3' ' O ' ' B' ' 30' ' ' SER . 0.5 OUTLIER -52.87 -46.99 68.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.677 1.191 . . . . 0.0 111.715 175.316 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.506 ' HG3' ' HD2' ' B' ' 33' ' ' LYS . 50.6 mt-10 -73.74 -34.73 64.87 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.737 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' B' ' 40' ' ' LEU . 35.3 tp -67.14 -34.93 78.62 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.052 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.673 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 8.0 pt -72.41 -38.93 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.46 -25.28 67.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 123.471 0.482 . . . . 0.0 111.984 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.51 -54.42 2.49 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -105.01 -52.88 2.76 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.399 -0.521 . . . . 0.0 112.2 -173.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.673 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.9 mp -62.99 -33.59 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.188 -174.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -129.37 96.36 4.27 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 172.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -101.58 9.98 40.69 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.127 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' B' ' 46' ' ' GLU . 64.3 m-85 -110.67 -59.11 2.0 Allowed 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.333 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp 65.57 -66.5 0.15 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.15 1.38 . . . . 0.0 113.844 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -71.35 -24.16 62.05 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.149 0.5 . . . . 0.0 111.568 -175.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' B' ' 43' ' ' PHE . 30.9 mm-40 -80.3 -169.38 2.06 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.961 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' B' ' 81' ' ' THR . 4.3 mt 61.11 -137.64 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.342 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 173.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.44 ' H ' HG22 ' B' ' 47' ' ' ILE . 22.7 tptp -174.93 79.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.885 1.274 . . . . 0.0 107.571 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' B' ' 80' ' ' VAL . 7.8 pt-20 -140.18 8.62 2.27 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.663 -171.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -61.54 -33.72 74.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 0.0 111.119 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -47.91 61.13 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.439 HG12 HG12 ' B' ' 80' ' ' VAL . 44.7 t -65.4 -41.11 90.38 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.467 -174.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.6 t -56.82 -40.5 71.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 O-C-N 123.336 0.398 . . . . 0.0 111.507 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.58 -45.65 78.57 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.337 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.532 ' HA ' ' OE1' ' B' ' 58' ' ' GLU . 56.0 mtpt -64.83 -33.99 77.3 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.954 0.883 . . . . 0.0 110.056 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.77 -42.73 97.38 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.088 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.8 mmt -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.532 ' OE1' ' HA ' ' B' ' 55' ' ' LYS . 42.6 mt-10 -74.22 -58.38 3.34 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.644 0.735 . . . . 0.0 109.076 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.9 p -65.24 -42.1 93.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.887 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' B' ' 29' ' ' LYS . 18.5 tp -60.15 -37.67 80.83 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.372 0.669 . . . . 0.0 110.162 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.17 -53.58 19.32 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.479 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -50.41 49.87 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.873 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.48 -13.7 61.1 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 121.582 0.706 . . . . 0.0 110.573 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' B' ' 29' ' ' LYS . . . -80.78 65.34 3.94 Favored Glycine 0 C--N 1.291 -1.952 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 173.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -90.97 -43.14 10.15 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.087 0.47 . . . . 0.0 110.568 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.5 -59.91 0.19 Allowed Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.042 -0.981 . . . . 0.0 113.195 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -143.71 -178.35 5.86 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -175.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.33 123.09 30.93 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.9 164.81 18.15 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.144 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -59.25 -32.76 70.29 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 122.975 0.51 . . . . 0.0 111.015 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -69.2 -36.89 77.77 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.085 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.46 -28.43 62.93 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.249 -175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.466 ' O ' HG12 ' B' ' 77' ' ' VAL . 4.3 t80 -55.18 -58.55 7.21 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -41.67 98.79 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.247 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.31 -57.14 13.04 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.008 0.523 . . . . 0.0 112.255 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -63.84 -42.86 97.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.466 HG12 ' O ' ' B' ' 73' ' ' PHE . 13.6 p -73.49 -40.52 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 C-N-CA 120.261 -0.576 . . . . 0.0 112.032 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.42 -27.13 62.15 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -80.08 -26.11 39.75 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 118.353 -1.339 . . . . 0.0 112.237 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 28.2 m -77.19 -51.92 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.17 176.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.481 ' HA ' HG21 ' B' ' 47' ' ' ILE . 60.7 m -84.24 -35.72 23.22 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -103.84 -46.12 4.58 Favored 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -173.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.97 -18.29 56.47 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.58 -29.4 66.93 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -121.82 -14.16 8.14 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.349 -0.541 . . . . 0.0 111.908 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 58.2 78.64 0.24 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.144 0.903 . . . . 0.0 109.153 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' B' ' 91' ' ' GLU . 88.7 m-85 56.0 -101.71 0.13 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.42 -175.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 39.1 t80 63.02 -59.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.872 2.069 . . . . 0.0 113.097 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -68.37 -41.52 80.5 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -103.03 -55.78 2.35 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.232 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.573 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 12.7 mm-40 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -171.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.447 ' HB3' ' HA ' ' B' ' 39' ' ' GLU . 51.0 m . . . . . 0 CA--C 1.557 1.212 0 CA-C-O 121.502 0.667 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -90.75 -48.16 7.21 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.163 -0.961 . . . . 0.0 110.764 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.4 tm? -63.57 -29.67 70.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 22.4 tt0 -53.54 -56.35 17.82 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.08 173.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -63.18 -27.61 69.48 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.461 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -64.41 -48.74 74.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.961 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -60.4 -41.53 94.07 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.687 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.97 -39.85 86.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.212 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -64.82 -37.56 88.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.852 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.757 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 3.9 mm? -59.19 -45.07 92.03 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.966 0.412 . . . . 0.0 111.672 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.3 pt -80.63 -32.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.668 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 36.3 t70 -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.75 0.309 . . . . 0.0 111.761 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.95 -30.32 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.514 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -75.04 -29.9 60.91 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 14.7 t60 -64.98 -38.2 90.17 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.27 1.028 . . . . 0.0 110.171 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -55.77 -40.06 72.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.694 0.759 . . . . 0.0 109.827 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -92.28 -161.6 0.85 Allowed 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -150.24 140.76 22.48 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.425 -0.797 . . . . 0.0 110.963 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.86 79.93 1.39 Allowed Glycine 0 N--CA 1.428 -1.882 0 N-CA-C 107.953 -2.059 . . . . 0.0 107.953 173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -25.76 10.13 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.549 1.14 . . . . 0.0 112.059 -175.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 25' ' ' HIS . 5.2 tm-20 -67.87 -22.16 65.13 Favored 'General case' 0 C--N 1.298 -1.66 0 C-N-CA 126.533 1.933 . . . . 0.0 110.302 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.24 28.87 10.14 Favored Glycine 0 CA--C 1.497 -1.068 0 N-CA-C 108.041 -2.024 . . . . 0.0 108.041 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' HB3' ' CE2' ' B' ' 88' ' ' PHE 0.397 34.7 t70 35.91 64.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -115.9 -30.78 5.97 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 166.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB2' ' HG3' ' A' ' 21' ' ' GLU . 38.0 m80 -131.24 36.82 3.78 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.084 173.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.597 ' HD2' ' O ' ' A' ' 68' ' ' CYS . 26.3 mtmt 40.83 -102.62 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 172.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 92.2 mt -154.3 168.99 24.75 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HD2' ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -95.82 158.74 15.31 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.281 178.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -62.16 -19.63 63.27 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 32.8 t -65.43 -22.51 66.77 Favored 'General case' 0 CA--C 1.56 1.353 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.03 -29.99 43.91 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 73' ' ' PHE . 3.4 tm? -58.52 -27.0 64.1 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.42 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 30' ' ' SER . 1.7 tmmm? -55.89 -49.18 74.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.74 173.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -69.6 -28.84 66.28 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.236 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.89 -59.55 5.2 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.846 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.4 pt -60.79 -30.39 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -54.1 -38.28 65.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 175.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -116.6 -38.44 3.49 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.581 0.705 . . . . 0.0 112.665 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.573 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 68.1 mm-40 -83.92 24.34 0.92 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 77' ' ' VAL . 1.2 tt -138.83 -53.8 0.59 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -176.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -60.18 118.52 6.46 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -145.05 -74.18 0.24 Allowed 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -146.55 83.88 1.61 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.697 0.76 . . . . 0.0 109.353 173.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -149.91 111.54 4.5 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.77 -18.53 1.63 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -143.34 17.6 1.88 Allowed 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -169.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 47' ' ' ILE . 1.9 mp -82.42 -100.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.246 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.916 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -115.4 -8.34 12.24 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 123.027 1.394 . . . . 0.0 109.003 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.5 pt-20 -52.84 -37.36 60.06 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.842 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -53.59 -39.24 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.811 0.444 . . . . 0.0 111.376 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.53 -55.01 4.73 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.835 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.98 -40.06 79.65 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.221 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -171.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' A' ' 57' ' ' MET . 71.3 t -52.99 -51.33 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 118.269 0.486 . . . . 0.0 110.435 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.27 -42.25 84.17 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.244 -178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -63.77 -36.58 84.35 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.037 0.446 . . . . 0.0 110.271 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -62.9 -48.28 88.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 123.564 0.745 . . . . 0.0 109.718 173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 23.8 mmt -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.38 -53.61 10.31 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 119.135 -1.026 . . . . 0.0 111.5 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 p -64.86 -44.5 89.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.5 tp -57.57 -45.59 85.01 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.525 0.516 . . . . 0.0 111.214 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.51 -28.41 24.98 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.962 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.74 -44.39 93.66 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.21 -49.13 65.7 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.35 -82.21 0.46 Allowed Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.49 0.956 . . . . 0.0 115.49 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -77.59 150.37 34.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.39 96.65 0.38 Allowed Glycine 0 N--CA 1.398 -3.878 0 N-CA-C 106.426 -2.67 . . . . 0.0 106.426 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 27' ' ' LEU 0.287 0.0 OUTLIER -56.94 111.1 0.94 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 122.146 0.974 . . . . 0.0 112.461 179.857 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.597 ' O ' ' HD2' ' A' ' 26' ' ' LYS . 24.5 p -61.32 121.28 12.21 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 114.003 -1.453 . . . . 0.0 113.692 -165.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.96 163.19 14.09 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.417 177.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -58.75 -26.87 64.41 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.67 0.747 . . . . 0.0 110.024 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.84 -36.77 85.01 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 114.596 -1.184 . . . . 0.0 111.237 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 48.9 mt-10 -77.91 -35.3 50.79 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' O ' HG12 ' A' ' 77' ' ' VAL . 14.2 m-85 -54.96 -54.25 45.22 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.756 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.37 -46.08 91.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.011 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -54.68 -58.98 5.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 123.798 0.686 . . . . 0.0 112.257 -177.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 93.6 m-85 -63.97 -43.3 96.16 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG ' ' A' ' 40' ' ' LEU . 8.8 p -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.4 66.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.571 -176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 25.2 ptt? -76.03 -23.58 55.15 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 119.592 -0.843 . . . . 0.0 112.28 -178.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.495 HG11 HD11 ' A' ' 40' ' ' LEU . 7.6 p -79.59 -28.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.41 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -78.2 -43.84 27.38 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.838 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.5 p -118.03 -63.75 1.38 Allowed 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.25 -0.281 . . . . 0.0 111.582 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 93.6 -74.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.769 2.028 . . . . 0.0 112.828 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.0 t -110.12 -74.28 0.66 Allowed 'General case' 0 N--CA 1.432 -1.351 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.745 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -142.86 29.03 1.53 Allowed 'General case' 0 CA--C 1.488 -1.425 0 CA-C-O 122.277 1.037 . . . . 0.0 110.481 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -79.64 26.31 0.31 Allowed 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.998 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -71.12 -32.2 68.71 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' B' ' 23' ' ' ASP . 61.9 m-85 -74.93 84.56 2.23 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.796 0.808 . . . . 0.0 108.905 172.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -176.41 -55.47 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -110.95 -62.17 1.58 Allowed 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.098 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -168.106 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.457 ' HB3' ' HA ' ' A' ' 39' ' ' GLU . 16.4 m . . . . . 0 C--O 1.254 1.34 0 CA-C-O 120.928 0.394 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -89.89 -46.57 8.46 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 121.831 -0.543 . . . . 0.0 110.414 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.3 tm? -65.14 -30.56 71.49 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' B' ' 1' ' ' SER . 25.1 tt0 -52.83 -56.24 17.21 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.277 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -63.75 -25.74 68.33 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.726 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -66.08 -46.87 76.16 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.821 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -61.69 -41.85 98.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.489 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.97 -40.41 88.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.21 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -64.93 -37.94 89.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.023 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.756 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 3.9 mm? -59.45 -43.99 93.07 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.012 0.434 . . . . 0.0 111.606 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 pt -81.11 -33.26 12.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 C-N-CA 120.109 -0.637 . . . . 0.0 111.814 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 24.6 t70 -70.75 -30.97 67.62 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.503 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.13 -31.25 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.558 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -76.85 -25.21 52.9 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.528 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 8.4 t60 -67.96 -38.48 82.81 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.337 1.055 . . . . 0.0 109.603 173.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' B' ' 12' ' ' ASP . 33.7 mm-40 -56.75 -45.01 82.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.567 0.699 . . . . 0.0 109.793 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -88.03 -166.5 1.6 Allowed 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t -143.93 139.52 29.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 C-N-CA 117.9 -1.52 . . . . 0.0 110.595 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.76 75.58 1.66 Allowed Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 108.184 -1.966 . . . . 0.0 108.184 172.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.478 ' NH1' ' HA ' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -52.2 -26.21 11.07 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.988 1.315 . . . . 0.0 112.099 -174.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.87 -24.1 66.08 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 125.735 1.614 . . . . 0.0 109.58 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.9 31.43 7.73 Favored Glycine 0 CA--C 1.489 -1.583 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.504 ' HB3' ' CE2' ' A' ' 88' ' ' PHE 0.381 34.6 t70 33.58 67.24 0.2 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -173.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -119.42 -32.23 4.41 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 166.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -130.86 38.07 3.73 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.91 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.603 ' HD2' ' O ' ' B' ' 68' ' ' CYS . 23.8 mtmt 39.09 -101.42 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 172.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 94.0 mt -155.38 170.03 22.86 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -96.38 158.77 15.28 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 118.226 -1.39 . . . . 0.0 110.517 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.22 -20.95 64.73 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 47.5 t -65.25 -22.99 66.93 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.68 -27.05 37.18 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 109.516 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.47 -25.44 66.04 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.089 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.7 tmmm? -55.93 -49.71 72.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.748 173.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -65.29 -32.48 74.16 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.655 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -58.09 9.97 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.278 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.415 HG22 HD12 ' B' ' 40' ' ' LEU . 10.4 pt -63.06 -26.84 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.338 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -112.89 -54.97 2.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.025 0.44 . . . . 0.0 110.584 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 55.1 mm-40 -73.45 30.04 0.07 Allowed 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 125.462 1.505 . . . . 0.0 114.85 -172.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' B' ' 77' ' ' VAL . 1.1 tt -143.64 -49.7 0.31 Allowed 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.8 m -68.46 120.39 14.45 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.504 -176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -146.49 -68.52 0.27 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -150.5 88.07 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.509 1.124 . . . . 0.0 108.873 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 tp -158.01 110.77 2.39 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.53 -30.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -121.24 15.36 11.41 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -167.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.435 HD12 ' N ' ' B' ' 47' ' ' ILE 0.304 1.9 mp -85.66 -105.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.534 0 C-N-CA 117.268 -1.773 . . . . 0.0 112.847 -176.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -114.14 -6.73 13.06 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 123.298 1.523 . . . . 0.0 108.682 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.424 ' O ' HG23 ' B' ' 53' ' ' VAL . 10.7 pt-20 -57.08 -35.64 69.62 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 112.398 -2.183 . . . . 0.0 112.909 -177.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -54.37 -37.16 64.64 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.368 0.604 . . . . 0.0 111.105 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.75 -54.82 4.83 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.09 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.08 -38.84 81.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.964 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -171.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' B' ' 57' ' ' MET . 72.8 t -53.06 -50.25 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 118.329 0.513 . . . . 0.0 110.209 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.64 -39.28 77.2 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.514 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.92 -37.6 87.98 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.166 0.508 . . . . 0.0 109.723 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.83 -49.75 82.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.874 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.509 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 23.6 mmt -60.64 -32.8 71.96 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.52 -50.88 10.82 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.796 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.1 p -67.0 -43.15 83.68 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' B' ' 76' ' ' PHE . 37.9 tp -57.26 -46.55 82.96 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 123.521 0.513 . . . . 0.0 111.534 -177.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.15 -29.16 26.9 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.6 -45.14 91.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.86 -45.32 74.88 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 174.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.18 -82.58 0.19 Allowed Glycine 0 C--O 1.247 0.914 0 N-CA-C 115.449 0.939 . . . . 0.0 115.449 169.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -79.13 145.72 33.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.62 0.17 Allowed Glycine 0 N--CA 1.402 -3.612 0 N-CA-C 106.458 -2.657 . . . . 0.0 106.458 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' B' ' 27' ' ' LEU 0.295 0.0 OUTLIER -54.64 110.77 0.69 Allowed 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.366 1.079 . . . . 0.0 112.762 -179.129 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.603 ' O ' ' HD2' ' B' ' 26' ' ' LYS . 22.2 p -62.91 123.98 19.9 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 113.791 -1.549 . . . . 0.0 114.545 -164.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -95.07 167.4 11.4 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.222 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -59.63 -27.95 66.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.435 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.85 -36.2 82.47 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.962 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.526 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 46.9 mt-10 -79.03 -35.99 41.8 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.565 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.58 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.2 m-85 -54.9 -54.02 47.93 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 172.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.757 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.29 -44.61 96.12 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.166 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -55.8 -59.3 5.07 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 123.554 0.534 . . . . 0.0 112.247 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.526 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 91.7 m-85 -62.46 -44.86 95.38 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG ' ' B' ' 40' ' ' LEU . 9.1 p -69.15 -42.1 81.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.89 -38.4 61.89 Favored 'General case' 0 N--CA 1.428 -1.547 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 24.9 ptt? -75.99 -23.94 55.3 Favored 'General case' 0 C--O 1.202 -1.404 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.043 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.475 HG11 HD11 ' B' ' 40' ' ' LEU . 7.8 p -79.02 -27.49 13.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.252 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.1 m -81.83 -39.82 23.42 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.22 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.9 p -123.44 -58.89 1.59 Allowed 'General case' 0 C--O 1.213 -0.84 0 O-C-N 122.089 -0.382 . . . . 0.0 112.018 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 85.42 -71.49 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.627 1.571 . . . . 0.0 113.375 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.9 t -110.56 -73.14 0.69 Allowed 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.652 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.414 ' HD1' ' CG ' ' A' ' 23' ' ' ASP . 66.5 m-70 -144.39 29.55 1.28 Allowed 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 122.088 0.947 . . . . 0.0 111.066 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -78.84 25.76 0.26 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 114.314 -1.312 . . . . 0.0 111.037 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -70.89 -32.2 69.09 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 54.0 m-85 -74.48 86.83 2.06 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.951 0.881 . . . . 0.0 108.95 172.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -178.51 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 103.345 -2.835 . . . . 0.0 103.345 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -122.93 -60.73 1.49 Allowed 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.239 -1.346 . . . . 0.0 110.226 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.353 0.723 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 -167.273 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -73.07 -53.9 9.9 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.184 0.594 . . . . 0.0 110.567 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -38.99 92.59 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.926 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' B' ' 40' ' ' LEU . 37.5 tt0 -50.76 -57.94 7.15 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.969 1.308 . . . . 0.0 110.746 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 36.3 ttpt -53.64 -45.34 70.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.798 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -63.83 -49.41 72.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.712 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.74 -46.25 91.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.306 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.57 -43.76 98.37 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -62.39 -35.75 80.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 13' ' ' VAL . 98.2 mt -65.88 -49.89 66.46 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.198 0.523 . . . . 0.0 111.288 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 pt -73.36 -35.97 47.59 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.539 ' HA ' ' HB3' ' A' ' 15' ' ' HIS . 31.9 t70 -74.11 -22.69 59.38 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 10' ' ' LEU . 7.3 p -67.18 -44.58 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.547 176.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.638 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -90.99 20.18 5.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 122.473 1.13 . . . . 0.0 111.955 175.332 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 12' ' ' ASP . 23.1 t60 -95.07 -40.15 9.78 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -76.11 -47.11 25.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.579 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' HD1' ' A' ' 14' ' ' PHE . 75.0 m-85 -93.15 130.29 38.85 Favored 'General case' 0 C--O 1.198 -1.646 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 176.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 t -157.6 177.5 11.33 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.464 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -92.47 -160.5 35.9 Favored Glycine 0 N--CA 1.43 -1.759 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.161 -178.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -35.42 4.19 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 115.435 -0.383 . . . . 0.0 111.675 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -134.07 -75.43 0.47 Allowed 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.475 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.27 -36.1 35.79 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.572 -177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -87.98 1.6 53.76 Favored 'General case' 0 N--CA 1.423 -1.799 0 CA-C-O 121.414 0.626 . . . . 0.0 110.734 -175.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -92.27 -28.86 16.72 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -77.72 -60.05 2.53 Favored 'General case' 0 C--O 1.207 -1.16 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 52.8 mtpt -132.46 139.64 48.07 Favored 'General case' 0 N--CA 1.417 -2.103 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 171.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HG ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mm? -65.4 -25.86 67.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -162.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 70.74 146.08 0.07 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.594 1.158 . . . . 0.0 111.127 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -60.82 -33.77 73.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.01 0.434 . . . . 0.0 111.863 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -61.49 -34.31 75.26 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.164 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.71 -26.7 25.75 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.315 0.579 . . . . 0.0 110.389 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.3 tm? -64.0 -22.21 66.83 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -55.95 -58.28 8.56 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.373 1.069 . . . . 0.0 109.74 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -53.51 -40.04 65.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.421 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.09 -54.27 43.69 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.859 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 32' ' ' LEU . 9.3 pt -68.57 -34.47 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -66.48 -48.3 70.31 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.834 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -107.18 -33.46 7.43 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -103.02 -7.48 21.37 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -170.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' B' ' 4' ' ' GLU . 5.4 tt -65.56 -64.07 0.95 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 t 178.59 152.28 0.32 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -105.97 -17.15 14.43 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.494 -0.883 . . . . 0.0 110.949 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -101.95 99.64 9.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.059 0.933 . . . . 0.0 110.868 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.3 mm? -108.49 107.13 17.53 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -121.16 -72.63 0.68 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 121.822 0.82 . . . . 0.0 112.283 -173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.72 17.52 4.68 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.435 -172.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.454 ' HB ' ' OE2' ' A' ' 49' ' ' GLU . 2.6 pt -123.94 -169.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.427 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -101.55 -77.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.678 ' OE2' ' HA ' ' A' ' 81' ' ' THR . 8.1 mp0 56.32 -55.26 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 127.264 2.226 . . . . 0.0 116.706 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -50.15 -37.57 35.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -169.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -76.66 -49.69 15.53 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 121.807 0.813 . . . . 0.0 109.849 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.413 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 23.2 t -72.27 -40.58 65.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.709 -171.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 57' ' ' MET . 57.2 t -55.28 -42.19 65.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 123.145 0.578 . . . . 0.0 111.216 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.92 -43.45 88.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.88 0.371 . . . . 0.0 110.924 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.35 -36.97 85.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.717 0.77 . . . . 0.0 109.747 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 4.2 t -63.03 -46.59 95.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.533 0 C-N-CA 124.535 1.134 . . . . 0.0 110.922 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.7 mmt -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 0.0 110.768 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.15 -60.35 2.69 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 p -61.93 -40.21 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 13.4 tp -52.09 -46.78 65.36 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.552 0.741 . . . . 0.0 110.556 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -42.26 20.78 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.826 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -61.55 -36.29 80.17 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.944 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.82 -46.18 89.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.841 0.353 . . . . 0.0 110.162 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.33 -99.24 1.09 Allowed Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.035 -1.078 . . . . 0.0 114.225 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.5 -71.61 0.42 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.17 0.51 . . . . 0.0 109.809 -177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.91 62.77 5.93 Favored Glycine 0 N--CA 1.415 -2.74 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.46 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -53.62 99.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.929 0.871 . . . . 0.0 111.442 173.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.684 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 48.3 t -62.71 129.08 38.91 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.35 -165.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -109.12 167.06 10.38 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.614 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 73' ' ' PHE . 22.4 p90 -54.55 -29.44 50.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.218 1.007 . . . . 0.0 111.73 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.26 -39.4 94.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.856 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.684 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 44.1 mt-10 -72.43 -33.01 66.78 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 70' ' ' PHE . 24.1 m-85 -53.91 -56.45 17.67 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.462 ' SD ' ' HB2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.94 -43.61 98.49 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.45 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.52 -56.73 18.39 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.465 -177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -63.81 -45.28 90.32 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 73' ' ' PHE . 9.6 p -68.92 -43.21 82.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.12 67.97 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 121.816 -0.552 . . . . 0.0 111.98 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 75' ' ' ALA . 26.0 ptt? -82.62 -24.02 34.03 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.305 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 33.9 m -77.85 -43.44 28.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 C-N-CA 118.713 -1.195 . . . . 0.0 110.774 176.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.678 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 85.5 m -79.79 -44.47 20.57 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.545 -176.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -109.23 -82.55 0.56 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 120.139 -0.624 . . . . 0.0 112.285 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.46 -168.04 0.06 Allowed 'General case' 0 C--O 1.258 1.547 0 C-N-CA 123.918 0.887 . . . . 0.0 112.483 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.3 m 66.17 -63.85 0.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.983 1.713 . . . . 0.0 114.87 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 56.2 m80 -132.98 -1.41 3.31 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 122.069 -0.394 . . . . 0.0 110.87 -176.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 48.11 -98.62 0.05 OUTLIER 'General case' 0 C--O 1.254 1.329 0 C-N-CA 124.835 1.254 . . . . 0.0 113.479 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 97.6 m-85 -89.47 85.09 6.45 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 87' ' ' PHE . 69.8 t80 160.39 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 104.283 -2.488 . . . . 0.0 104.283 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 85' ' ' HIS . 11.8 tp10 -78.12 -57.13 3.95 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.021 -1.445 . . . . 0.0 107.343 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -106.34 -61.57 1.5 Allowed 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 173.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 -168.53 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 4' ' ' GLU . 19.1 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 120.562 0.22 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -73.84 -52.45 12.99 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.505 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.49 -41.29 98.7 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.016 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 40' ' ' LEU . 37.7 tt0 -48.22 -57.9 5.28 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.423 1.489 . . . . 0.0 110.735 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -53.68 -45.75 70.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.908 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -64.64 -47.98 76.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.498 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.19 -45.85 92.9 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.619 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.55 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.709 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.05 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -60.46 -36.85 79.24 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' HG12 ' B' ' 13' ' ' VAL . 98.6 mt -65.31 -49.7 68.47 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.071 0.462 . . . . 0.0 111.311 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 22.4 pt -73.25 -34.06 43.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' B' ' 15' ' ' HIS . 33.6 t70 -70.66 -29.23 65.5 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.517 HG12 ' O ' ' B' ' 10' ' ' LEU . 7.3 p -66.42 -44.72 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.191 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.647 ' CG ' ' HG ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -90.85 18.56 6.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.435 1.112 . . . . 0.0 112.109 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 20.8 t60 -93.61 -39.96 10.54 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 168.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -79.83 -44.68 20.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.151 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.491 ' O ' ' HD1' ' B' ' 14' ' ' PHE . 81.6 m-85 -91.72 126.59 36.85 Favored 'General case' 0 C--O 1.196 -1.746 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 t -159.4 164.52 34.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' B' ' 23' ' ' ASP . . . -84.1 -167.05 41.76 Favored Glycine 0 CA--C 1.487 -1.683 0 CA-C-O 121.719 0.621 . . . . 0.0 113.712 -176.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.448 ' HD3' ' H ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -111.22 -34.82 6.05 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.82 -0.69 . . . . 0.0 111.271 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.81 -80.39 0.44 Allowed 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.74 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.3 -29.77 59.69 Favored Glycine 0 CA--C 1.493 -1.312 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.53 -175.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.525 ' CG ' ' HA3' ' B' ' 19' ' ' GLY . 17.3 p-10 -91.76 1.29 57.26 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.052 0.941 . . . . 0.0 109.414 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -91.65 -35.7 14.06 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -71.81 -55.53 7.41 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 54.2 mtpt -136.1 139.14 42.75 Favored 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.647 ' HG ' ' CG ' ' B' ' 14' ' ' PHE . 2.7 mm? -66.12 -26.07 67.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -163.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' B' ' 67' ' ' GLU . 71.2 mmtt 71.93 148.91 0.09 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.634 1.174 . . . . 0.0 111.291 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -62.98 -34.71 78.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -64.64 -29.85 70.86 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.014 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 35.1 mm-40 -86.14 -26.82 24.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.222 0.534 . . . . 0.0 110.703 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.503 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -64.37 -22.78 67.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.32 -59.67 4.47 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 124.442 1.097 . . . . 0.0 109.404 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -54.66 -34.02 61.6 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.353 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -66.74 -55.64 14.09 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.253 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 32' ' ' LEU . 10.0 pt -68.41 -33.58 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -66.9 -37.34 84.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.647 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.73 -37.84 3.07 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -97.22 -6.01 35.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 4' ' ' GLU . 5.3 tt -67.11 -64.7 0.8 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.5 t 177.16 152.97 0.22 Allowed 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -104.44 -19.2 14.12 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.953 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -98.53 100.43 11.68 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 122.038 0.923 . . . . 0.0 110.936 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.442 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.2 mm? -109.32 105.08 14.32 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -118.06 -65.9 1.13 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -173.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.866 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.536 ' HB ' ' OE2' ' B' ' 49' ' ' GLU . 2.1 pt -117.23 -172.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -98.55 -78.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.664 ' OE2' ' HA ' ' B' ' 81' ' ' THR . 7.5 mp0 55.83 -53.88 0.02 OUTLIER 'General case' 0 C--O 1.207 -1.175 0 C-N-CA 127.278 2.231 . . . . 0.0 116.348 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -47.82 -37.54 13.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.908 1.283 . . . . 0.0 113.755 -171.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -80.24 -49.68 11.27 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.563 0.697 . . . . 0.0 110.762 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.422 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 24.3 t -72.52 -40.61 63.36 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.487 -171.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' B' ' 57' ' ' MET . 78.2 t -55.73 -39.62 56.51 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.15 0 C-N-CA 122.913 0.485 . . . . 0.0 111.055 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.91 -42.45 85.4 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.937 0.399 . . . . 0.0 110.705 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.6 -35.41 78.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.686 0.755 . . . . 0.0 109.563 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 4.0 t -63.86 -45.7 96.32 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 C-N-CA 124.616 1.166 . . . . 0.0 110.754 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.4 mmt -65.22 -36.05 82.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 120.945 0.402 . . . . 0.0 110.272 178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.54 -58.46 7.5 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.4 p -63.24 -41.99 99.16 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 13.1 tp -52.58 -45.78 66.63 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.636 0.774 . . . . 0.0 110.4 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -80.25 -42.54 22.99 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.095 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.23 -38.99 93.34 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.721 -176.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.73 -45.76 92.55 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.573 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.4 -114.69 4.35 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.273 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.71 -69.0 0.21 Allowed 'General case' 0 C--O 1.248 0.982 0 C-N-CA 123.349 0.659 . . . . 0.0 110.204 -179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.13 57.13 17.94 Favored Glycine 0 N--CA 1.422 -2.252 0 CA-C-N 114.308 -1.315 . . . . 0.0 112.537 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 5.9 pt-20 -46.61 100.23 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.506 0.669 . . . . 0.0 110.825 174.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.642 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 45.3 t -66.0 127.43 32.05 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.334 -1.303 . . . . 0.0 113.881 -167.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -109.48 167.83 9.84 Favored 'General case' 0 CA--C 1.487 -1.468 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.312 173.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.557 ' HA ' ' CD1' ' B' ' 73' ' ' PHE . 25.5 p90 -53.35 -30.26 38.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.47 1.108 . . . . 0.0 112.335 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.39 -39.58 92.41 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.739 -176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.642 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 42.7 mt-10 -70.32 -33.42 71.49 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.092 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' B' ' 70' ' ' PHE . 25.4 m-85 -54.05 -56.74 15.14 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.45 ' SD ' ' HB2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.34 -44.07 97.8 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.453 -178.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.65 -57.29 13.64 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.355 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -62.46 -45.79 91.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 73' ' ' PHE . 9.7 p -68.68 -43.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.93 67.41 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.831 -0.543 . . . . 0.0 112.014 -176.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' B' ' 75' ' ' ALA . 26.5 ptt? -81.9 -26.32 34.22 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.334 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.422 ' HA ' ' HB ' ' B' ' 52' ' ' VAL . 33.9 m -76.25 -44.82 36.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 C-N-CA 118.602 -1.239 . . . . 0.0 110.536 176.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.664 ' HA ' ' OE2' ' B' ' 49' ' ' GLU . 90.2 m -78.31 -43.95 26.58 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.594 -176.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.6 m -110.69 -82.62 0.57 Allowed 'General case' 0 N--CA 1.436 -1.17 0 O-C-N 121.619 -0.676 . . . . 0.0 112.538 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 53.37 -168.0 0.06 Allowed 'General case' 0 C--O 1.256 1.442 0 C-N-CA 123.822 0.849 . . . . 0.0 112.527 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.7 m 67.08 -70.38 0.11 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.263 1.425 . . . . 0.0 114.1 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.413 ' HB3' ' HB3' ' B' ' 88' ' ' PHE . 57.9 m80 -127.61 0.07 6.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 122.394 -0.191 . . . . 0.0 111.258 -175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 48.07 -98.22 0.04 OUTLIER 'General case' 0 C--O 1.257 1.488 0 C-N-CA 124.691 1.197 . . . . 0.0 113.708 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -89.8 77.24 7.07 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 122.017 0.913 . . . . 0.0 109.327 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' B' ' 85' ' ' HIS . 62.1 t80 168.46 -34.33 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 -175.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -77.98 -52.46 8.78 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 113.792 -1.549 . . . . 0.0 107.85 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -111.48 -59.31 2.0 Allowed 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -167.548 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.82 0.343 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.69 -38.26 88.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' B' ' 39' ' ' GLU . 3.1 tm? -76.05 -38.55 57.02 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.241 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 50.0 tt0 -60.57 -36.87 79.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.757 0.789 . . . . 0.0 109.786 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -65.12 -53.01 51.9 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.668 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.01 92.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.678 -1.147 . . . . 0.0 113.056 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.418 ' HG3' HG22 ' B' ' 77' ' ' VAL . 14.9 tmm? -56.6 -45.73 81.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.2 -34.71 70.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.344 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.04 -52.71 58.15 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.416 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' HG ' ' SD ' ' B' ' 74' ' ' MET . 4.5 mm? -51.66 -49.49 62.23 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.164 0.507 . . . . 0.0 111.701 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.45 HD12 ' CE1' ' B' ' 90' ' ' HIS . 36.6 pt -74.55 -48.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 13.9 t70 -72.71 -30.15 63.97 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.74 -41.51 92.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.49 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' HB3' ' CZ ' ' B' ' 87' ' ' PHE . 0.3 OUTLIER -81.77 -12.64 58.47 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.968 178.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 8.7 t60 -69.22 -42.01 76.27 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 169.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 74.3 mt-30 -70.43 -3.19 16.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.504 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CZ ' ' HA3' ' A' ' 19' ' ' GLY . 23.8 t80 -54.17 -58.42 7.43 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.489 173.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 p 40.61 77.52 0.05 Allowed 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.274 1.03 . . . . 0.0 113.077 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 17' ' ' TYR . . . -113.99 138.23 14.72 Favored Glycine 0 N--CA 1.424 -2.138 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.022 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -60.98 -23.22 65.2 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 123.24 0.616 . . . . 0.0 112.338 -179.14 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.94 -63.85 1.09 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.598 174.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.37 29.4 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.869 -0.605 . . . . 0.0 113.51 -174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.85 -16.05 63.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 122.007 -0.702 . . . . 0.0 111.737 -174.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -98.43 -1.11 42.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.777 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -126.74 -81.38 0.61 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.648 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HD3' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -151.04 149.33 29.42 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 100.811 -3.774 . . . . 0.0 100.811 176.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.47 -36.24 63.91 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -172.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 74.5 mmtt 64.04 116.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.984 1.314 . . . . 0.0 112.992 176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HD2' ' O ' ' A' ' 67' ' ' GLU 0.295 0.0 OUTLIER -68.14 -18.93 64.76 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.683 -0.636 . . . . 0.0 111.619 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.9 m -62.62 -23.53 67.11 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.215 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -85.47 -22.62 28.16 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.745 0.783 . . . . 0.0 109.815 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 3.3 tm? -63.24 -21.2 66.08 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.57 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -53.45 -52.04 60.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 121.855 0.836 . . . . 0.0 110.988 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.43 -22.85 65.5 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.285 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.27 -51.15 22.16 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 12.4 pt -65.25 -33.24 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.8 -30.27 71.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.368 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -99.67 -62.42 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 24.4 mm-40 -80.52 -32.92 36.73 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -172.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.758 ' HG ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -74.3 -61.28 1.91 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 -173.014 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 p -90.16 92.4 8.94 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -165.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.48 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 31.7 m80 -126.44 -71.46 0.69 Allowed 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -95.36 -11.63 27.41 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 2.7 mm? -81.33 110.73 17.05 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -114.95 -73.69 0.64 Allowed 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -135.49 73.31 1.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 65.8 mt -107.14 -49.84 8.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -150.77 -32.06 0.17 Allowed 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.08 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' OE1' ' HB3' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -58.07 -29.83 65.72 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -173.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.518 ' OE1' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -59.76 -27.02 66.15 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HG3' ' OE1' ' A' ' 50' ' ' GLN . 43.0 mt-10 -81.41 -59.01 2.78 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.641 1.21 . . . . 0.0 109.49 170.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 3.3 t -72.02 -25.36 23.71 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 CA-C-N 113.775 -1.557 . . . . 0.0 114.852 -165.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 56' ' ' VAL . 55.3 t -57.59 -42.85 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 119.122 0.873 . . . . 0.0 111.743 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -65.66 -40.97 92.99 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.805 0.812 . . . . 0.0 109.81 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -71.42 -30.73 66.42 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.699 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.1 p -70.76 -34.59 57.04 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.0 mmt -66.58 -29.63 69.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.244 0.545 . . . . 0.0 109.965 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.7 -61.51 1.85 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.874 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 p -58.15 -40.88 82.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 15.8 tp -54.87 -48.34 73.09 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 124.073 0.949 . . . . 0.0 110.461 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.7 -33.08 21.61 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.638 -176.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.42 -42.05 92.93 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.8 -39.8 95.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.06 -103.91 0.94 Allowed Glycine 0 C--O 1.242 0.625 0 CA-C-N 114.79 -1.095 . . . . 0.0 115.081 172.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -86.19 106.38 17.25 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-O 121.083 0.468 . . . . 0.0 110.447 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.29 27.78 0.13 Allowed Glycine 0 C--N 1.297 -1.638 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.603 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 2.3 mp0 56.72 -179.2 0.05 OUTLIER 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.288 1.035 . . . . 0.0 113.276 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' N ' ' A' ' 29' ' ' LYS . 43.7 t -134.09 101.95 5.22 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.152 170.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 167.53 9.87 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.669 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' B' ' 84' ' ' CYS . 4.4 p90 -57.71 -26.55 61.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.754 0.822 . . . . 0.0 111.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.84 -40.8 95.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -78.79 -32.57 46.47 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.477 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -52.84 -54.28 36.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.655 ' SD ' ' HG ' ' B' ' 10' ' ' LEU . 0.6 OUTLIER -62.15 -47.03 86.36 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.495 0.497 . . . . 0.0 111.154 177.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.58 29.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -62.65 -47.19 84.81 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.758 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.5 p -68.41 -41.06 83.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.024 0.44 . . . . 0.0 112.169 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.21 -27.75 47.85 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 119.507 -0.877 . . . . 0.0 111.974 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -78.33 -23.09 47.19 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 118.292 -1.363 . . . . 0.0 111.771 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 40' ' ' LEU . 27.0 m -75.31 -51.62 20.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.149 0 C-N-CA 118.664 -1.214 . . . . 0.0 111.477 176.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.5 m -83.73 -39.48 20.05 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.596 HG22 ' SG ' ' A' ' 84' ' ' CYS . 11.9 m -98.71 -49.79 4.47 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 121.638 -0.664 . . . . 0.0 111.414 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.07 86.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.022 1.329 . . . . 0.0 113.369 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.596 ' SG ' HG22 ' A' ' 82' ' ' THR . 58.7 m -144.43 154.33 42.84 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -112.0 0.24 15.94 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 167.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.607 ' OE1' ' HE3' ' B' ' 26' ' ' LYS . 31.0 tt0 169.15 85.97 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.904 0 C-N-CA 128.258 2.623 . . . . 0.0 107.491 170.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.701 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 97.1 m-85 41.92 72.67 0.16 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 124.505 1.128 . . . . 0.0 112.523 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -111.35 -75.13 0.62 Allowed 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.65 -169.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -85.21 10.84 11.26 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' HB3' HG23 ' A' ' 82' ' ' THR . 35.8 t-80 -147.11 -46.82 0.18 Allowed 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.526 175.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.701 ' HA ' ' HB3' ' A' ' 87' ' ' PHE . 37.7 tt0 . . . . . 0 N--CA 1.434 -1.265 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 -170.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.418 ' H2 ' ' CD ' ' A' ' 39' ' ' GLU . 19.5 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.92 -39.01 66.65 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 3.1 tm? -74.45 -39.66 62.41 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.031 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.48 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 46.7 tt0 -57.69 -42.73 84.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.412 0.625 . . . . 0.0 109.396 177.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.15 -50.06 74.71 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.037 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.42 94.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.744 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.42 ' HG3' HG22 ' A' ' 77' ' ' VAL . 14.8 tmm? -57.54 -45.57 84.9 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.132 0.491 . . . . 0.0 110.01 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.75 -36.22 75.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.047 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -52.9 61.25 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.477 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.655 ' HG ' ' SD ' ' A' ' 74' ' ' MET . 4.5 mm? -51.91 -50.34 61.26 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.002 0.43 . . . . 0.0 111.812 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.404 HD12 ' CE1' ' A' ' 90' ' ' HIS . 36.4 pt -73.97 -46.48 45.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 26.9 t70 -71.95 -31.74 66.61 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -174.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.98 -41.12 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.647 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.35 -15.51 55.09 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 117.429 -1.709 . . . . 0.0 110.84 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' B' ' 12' ' ' ASP . 10.5 t60 -66.54 -40.18 88.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 75.9 mt-30 -72.23 -7.16 47.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.228 176.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' B' ' 19' ' ' GLY . 23.7 t80 -51.12 -60.89 2.62 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 117.858 0.299 . . . . 0.0 110.502 175.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 40.5 p 45.71 72.45 0.22 Allowed 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.99 0.916 . . . . 0.0 112.643 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' B' ' 17' ' ' TYR . . . -105.69 141.09 15.33 Favored Glycine 0 N--CA 1.421 -2.346 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.929 -177.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -63.55 -24.09 67.66 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.705 0.297 . . . . 0.0 111.572 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -96.01 -65.48 0.97 Allowed 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.448 174.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.63 -54.49 36.67 Favored Glycine 0 C--O 1.21 -1.355 0 O-C-N 123.539 0.524 . . . . 0.0 113.893 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' B' ' 19' ' ' GLY . 15.7 t70 -64.13 -22.26 66.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 122.102 -0.646 . . . . 0.0 111.578 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -96.15 2.02 52.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.83 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -129.55 -83.69 0.56 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.429 0.633 . . . . 0.0 110.462 177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.607 ' HE3' ' OE1' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -150.01 147.84 28.33 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 177.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.408 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 4.5 mm? -53.18 -36.33 60.82 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -173.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 26' ' ' LYS . 74.1 mmtt 61.65 112.99 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.937 1.295 . . . . 0.0 112.897 177.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HD2' ' O ' ' B' ' 67' ' ' GLU 0.291 0.0 OUTLIER -64.29 -19.27 65.3 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.665 -0.647 . . . . 0.0 112.48 178.424 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -62.69 -23.74 67.29 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 121.979 -0.451 . . . . 0.0 110.311 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.27 -22.19 28.7 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.591 0.71 . . . . 0.0 109.681 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.3 tm? -62.04 -20.89 64.43 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.111 0.964 . . . . 0.0 108.746 177.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -53.22 -51.84 60.84 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.132 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.29 -26.24 67.98 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.034 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.72 -52.58 24.22 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.46 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 13.1 pt -65.21 -34.05 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -56.58 -36.53 69.47 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.054 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -95.85 -70.38 0.72 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 32.0 mm-40 -71.02 -37.18 72.62 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -170.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.732 ' HG ' HG23 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.1 -60.91 1.97 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.703 0.763 . . . . 0.0 110.989 -171.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -92.45 91.82 7.8 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.424 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 35.8 m80 -124.96 -69.15 0.81 Allowed 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -95.93 -12.42 25.11 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB3' ' OE1' ' B' ' 49' ' ' GLU . 2.7 mm? -81.31 112.71 18.86 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 171.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.54 -73.28 0.65 Allowed 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -171.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -135.57 80.68 1.85 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.168 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 62.9 mt -114.36 -52.8 4.98 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -149.66 -30.03 0.24 Allowed 'General case' 0 C--O 1.245 0.821 0 CA-C-N 114.032 -1.44 . . . . 0.0 112.019 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HB2' HG23 ' B' ' 53' ' ' VAL . 0.8 OUTLIER -60.07 -29.77 68.78 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.061 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . 0.252 0.0 OUTLIER -61.4 -27.0 68.22 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.914 -0.714 . . . . 0.0 112.438 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -81.77 -55.93 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.289 1.042 . . . . 0.0 109.64 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' B' ' 80' ' ' VAL . 3.3 t -73.59 -25.12 20.55 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -166.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.64 ' O ' HG12 ' B' ' 56' ' ' VAL . 54.7 t -57.51 -42.7 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-N 119.057 0.844 . . . . 0.0 112.088 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.8 -35.44 78.65 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -74.34 -30.46 62.04 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.549 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 53' ' ' VAL . 2.6 p -69.43 -34.57 62.82 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.866 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.3 mmt -67.83 -29.9 69.17 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.256 0.55 . . . . 0.0 109.945 178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.94 -61.32 1.85 Allowed 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.184 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -58.39 -41.33 84.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 15.3 tp -55.19 -42.77 73.67 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 124.213 1.005 . . . . 0.0 110.708 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -89.0 -36.38 15.86 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.731 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.58 -40.88 96.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.249 0.62 . . . . 0.0 110.713 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.1 -43.53 91.79 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.15 -106.68 1.9 Allowed Glycine 0 CA--C 1.505 -0.547 0 CA-C-N 114.936 -1.029 . . . . 0.0 114.785 172.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.91 105.14 17.24 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-O 121.437 0.637 . . . . 0.0 110.508 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.59 29.04 0.2 Allowed Glycine 0 C--N 1.296 -1.669 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.619 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 2.1 mp0 56.81 177.78 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.723 1.209 . . . . 0.0 113.62 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.573 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 47.3 t -132.28 101.6 5.43 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.038 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -109.44 168.0 9.72 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -57.29 -26.78 61.4 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.693 0.797 . . . . 0.0 112.147 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -64.83 -40.66 95.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.003 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -78.75 -32.95 46.87 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.443 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.648 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.7 -54.68 30.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.455 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.555 ' SD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.26 -47.43 86.07 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.556 0.535 . . . . 0.0 111.289 176.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.25 -54.43 43.55 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -63.76 -47.34 81.39 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.732 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.6 p -68.15 -41.06 83.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.2 -28.15 47.99 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.076 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -77.64 -23.41 49.74 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 117.875 -1.53 . . . . 0.0 111.583 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.458 HG21 HD11 ' B' ' 40' ' ' LEU . 32.3 m -75.45 -51.58 20.62 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.488 0 C-N-CA 118.641 -1.224 . . . . 0.0 111.638 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -84.25 -37.59 21.56 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.613 HG22 ' SG ' ' B' ' 84' ' ' CYS . 10.8 m -99.33 -50.99 3.93 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.653 -0.654 . . . . 0.0 111.356 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 55.65 88.78 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.904 1.282 . . . . 0.0 113.342 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.613 ' SG ' HG22 ' B' ' 82' ' ' THR . 57.2 m -148.3 152.54 37.27 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.129 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -110.46 -1.84 16.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 166.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.556 ' OE1' ' HE3' ' A' ' 26' ' ' LYS . 30.3 tt0 172.47 85.66 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 128.284 2.634 . . . . 0.0 107.551 171.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.677 ' HB3' ' HA ' ' B' ' 91' ' ' GLU . 95.9 m-85 42.73 71.19 0.24 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 124.319 1.012 . . . . 0.0 112.586 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' B' ' 89' ' ' GLU . 50.0 t80 -108.03 -74.56 0.65 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.919 -170.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.422 ' HG3' ' CD2' ' B' ' 88' ' ' PHE . 41.9 mt-10 -86.59 6.49 30.58 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -175.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.466 ' HB3' HG23 ' B' ' 82' ' ' THR . 40.3 t-80 -138.83 -47.4 0.49 Allowed 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.748 174.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.677 ' HA ' ' HB3' ' B' ' 87' ' ' PHE . 35.5 tt0 . . . . . 0 N--CA 1.438 -1.04 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 -169.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.425 ' HB3' ' OE2' ' B' ' 39' ' ' GLU . 4.7 m . . . . . 0 N--CA 1.438 -1.06 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 2.5 tp10 -68.66 -37.25 79.49 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.158 0.504 . . . . 0.0 110.13 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 3' ' ' LEU . 2.3 tm? -73.51 -34.62 65.36 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.128 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 8' ' ' VAL . 54.4 mt-10 -56.32 -40.27 74.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.888 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 46.1 pttt -71.61 -25.16 62.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.944 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.75 85.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.476 ' HE1' HG21 ' B' ' 81' ' ' THR . 10.6 tmm? -65.18 -40.2 93.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.649 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' GLU . 95.8 t -60.36 -43.87 94.74 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.672 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.058 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.81 77.58 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.971 0.508 . . . . 0.0 111.642 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.523 HD13 ' SD ' ' B' ' 74' ' ' MET . 34.3 mt -60.22 -42.74 95.82 Favored 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 123.411 0.684 . . . . 0.0 111.212 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.4 pt -82.37 -24.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 120.625 -1.297 . . . . 0.0 112.074 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.563 ' HA ' ' CE1' ' A' ' 15' ' ' HIS . 11.2 t70 -79.67 -50.88 9.97 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.58 -35.77 65.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.856 0.36 . . . . 0.0 110.089 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -62.62 -46.53 87.83 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.551 175.137 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 12' ' ' ASP . 2.0 p-80 -65.02 -27.41 68.79 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 119.621 -0.832 . . . . 0.0 113.065 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 77.2 mt-30 -65.91 -43.33 88.46 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.032 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.65 -26.22 15.28 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 m -72.52 151.5 42.43 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' HA3' ' OD1' ' A' ' 23' ' ' ASP . . . -72.7 93.12 0.63 Allowed Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 175.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -54.33 -35.5 62.76 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 37.5 tt0 -95.2 -75.95 0.51 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.54 -35.32 74.78 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.563 -173.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' OD1' ' HA3' ' A' ' 19' ' ' GLY . 5.5 m-20 -91.74 14.17 16.08 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.976 0.417 . . . . 0.0 112.064 -173.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 60.99 27.29 17.18 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.573 0.749 . . . . 0.0 112.666 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' B' ' 87' ' ' PHE . 3.3 t-160 72.67 14.19 5.12 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.568 0.747 . . . . 0.0 111.193 173.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.83 154.73 24.68 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 120.895 -1.128 . . . . 0.0 111.037 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -71.64 -39.12 70.58 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -166.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HE3' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 72.6 131.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.365 1.066 . . . . 0.0 109.705 -169.61 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 52.1 mtpt -68.94 -30.39 68.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.935 -174.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.6 t -63.84 -32.36 73.85 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.029 0.443 . . . . 0.0 110.085 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.43 -18.62 33.09 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -62.46 -24.54 67.5 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.397 -0.819 . . . . 0.0 108.831 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB2' HD23 ' A' ' 60' ' ' LEU . 4.6 tmmm? -55.68 -54.32 45.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.939 175.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 -33.14 75.32 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.048 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HG ' HD13 ' A' ' 40' ' ' LEU . 33.9 tp -69.99 -42.67 72.78 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.322 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 10.1 pt -65.05 -42.32 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -62.19 -22.82 66.21 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.066 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -99.39 -68.72 0.79 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -101.37 -21.13 14.91 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -165.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 5.2 mp -99.87 -22.78 15.17 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.336 -175.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.7 m -143.49 89.85 2.11 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.397 0.617 . . . . 0.0 110.48 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -115.0 -39.4 3.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.404 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -90.17 -3.52 57.82 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.178 -1.009 . . . . 0.0 110.792 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -80.06 92.37 5.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.747 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.05 -18.95 15.37 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.063 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 11.6 pt-20 -147.88 -153.02 0.47 Allowed 'General case' 0 N--CA 1.416 -2.151 0 C-N-CA 124.074 0.949 . . . . 0.0 108.914 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.438 HG22 ' HG2' ' A' ' 48' ' ' LYS . 67.3 mt 92.36 -87.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.45 1.5 . . . . 0.0 111.603 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 82' ' ' THR . 29.8 mmmt -137.5 6.35 2.75 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.471 0.653 . . . . 0.0 111.674 -176.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -62.18 -47.67 83.46 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -173.288 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -59.46 -32.13 69.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.306 0.503 . . . . 0.0 111.963 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.62 -56.26 4.12 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.657 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.02 -45.84 75.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -172.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 57' ' ' MET . 79.3 t -57.25 -40.5 74.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 C-N-CA 122.46 0.304 . . . . 0.0 111.593 -176.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.92 -41.31 87.29 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.017 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.41 -34.59 78.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.796 0.808 . . . . 0.0 110.03 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.02 -46.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 124.348 1.059 . . . . 0.0 110.368 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.8 mmt -67.03 -27.56 67.51 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.557 0.694 . . . . 0.0 110.374 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.25 -59.4 3.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.944 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 14.0 p -64.01 -40.75 97.03 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -177.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 6.8 mp -56.6 -29.92 62.66 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -101.08 -46.32 5.11 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.255 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.35 -51.82 22.1 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.153 -176.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' A' ' 59' ' ' THR . 15.5 t70 -73.12 -64.19 1.02 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.43 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.08 -49.57 2.57 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 113.022 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 t70 69.1 -50.66 0.6 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 127.614 2.366 . . . . 0.0 112.564 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.98 -24.99 5.61 Favored Glycine 0 C--N 1.299 -1.501 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -149.68 -178.62 6.55 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.574 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 12.1 t -143.45 135.11 26.39 Favored 'General case' 0 CA--C 1.481 -1.709 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 173.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -108.7 167.74 9.84 Favored 'General case' 0 C--N 1.282 -2.357 0 O-C-N 124.001 0.813 . . . . 0.0 109.517 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.433 ' CE1' ' HB1' ' B' ' 78' ' ' ALA . 12.9 p90 -64.87 -24.03 67.41 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.147 0.499 . . . . 0.0 110.243 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.05 -38.75 92.19 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.685 174.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 52.4 mt-10 -79.28 -31.79 43.43 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -53.7 -46.66 70.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 175.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.497 ' SD ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -65.79 -53.94 33.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.457 174.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -50.79 -51.68 48.35 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 123.923 0.764 . . . . 0.0 112.972 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.485 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 71.0 m-85 -66.93 -44.86 79.58 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.459 ' HB ' HD23 ' A' ' 40' ' ' LEU . 10.9 p -70.06 -33.15 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-O 121.015 0.436 . . . . 0.0 111.102 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' CE1' ' B' ' 70' ' ' PHE . . . -75.22 -32.0 61.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.458 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 83' ' ' ALA 0.256 25.6 ptt? -84.79 -30.0 24.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 118.345 -1.342 . . . . 0.0 113.23 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.5 m -71.06 -39.22 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.421 HG21 ' HE1' ' B' ' 7' ' ' MET . 13.6 m -85.24 -25.13 27.48 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.069 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 61.9 m -136.78 -101.17 0.2 Allowed 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 121.705 -0.622 . . . . 0.0 112.462 -177.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 79' ' ' MET . . . 51.61 176.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.93 0.892 . . . . 0.0 112.675 -174.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.6 m 64.84 -50.9 0.33 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.811 1.645 . . . . 0.0 115.101 172.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 28.7 m80 -129.64 72.93 1.49 Allowed 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.06 122.65 17.07 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.597 -175.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.521 ' HB3' ' CD2' ' B' ' 25' ' ' HIS . 87.7 m-85 72.28 -2.13 2.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.626 1.17 . . . . 0.0 112.512 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -107.05 -32.99 7.61 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.833 0.349 . . . . 0.0 110.181 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 85' ' ' HIS . 9.0 tp10 -67.31 -31.62 72.04 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.967 0.889 . . . . 0.0 108.795 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -115.86 -88.0 0.59 Allowed 'General case' 0 N--CA 1.422 -1.825 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' OXT' ' HB3' ' B' ' 15' ' ' HIS . 10.5 pt-20 . . . . . 0 C--O 1.259 1.582 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.243 0.718 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.3 tp10 -74.61 -35.39 62.94 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.318 0.58 . . . . 0.0 109.929 -171.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.441 ' O ' HD13 ' B' ' 3' ' ' LEU . 2.4 tm? -75.36 -33.95 61.12 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.481 ' O ' HG23 ' B' ' 8' ' ' VAL . 52.7 mt-10 -56.64 -40.26 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 46.7 pttt -71.7 -25.72 62.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.757 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.85 -39.89 87.73 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.421 ' HE1' HG21 ' A' ' 81' ' ' THR . 10.2 tmm? -65.18 -39.92 93.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.596 175.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 4' ' ' GLU . 95.8 t -61.23 -42.73 94.56 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.736 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.084 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.67 82.04 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.842 0.457 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.497 HD13 ' SD ' ' A' ' 74' ' ' MET . 35.1 mt -60.57 -43.41 97.34 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 123.489 0.716 . . . . 0.0 110.865 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 pt -81.15 -24.43 10.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.159 0 O-C-N 120.608 -1.308 . . . . 0.0 111.877 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' B' ' 15' ' ' HIS . 25.6 t70 -77.27 -52.28 9.47 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.87 -35.68 66.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 CA-C-O 120.959 0.409 . . . . 0.0 110.276 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -62.56 -48.52 79.13 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.813 175.059 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.639 ' CE1' ' HA ' ' B' ' 12' ' ' ASP . 2.2 p-80 -63.6 -29.0 70.31 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 119.373 -0.931 . . . . 0.0 112.983 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 78.2 mt-30 -62.34 -51.05 69.15 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.662 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -89.9 -30.3 17.96 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.985 -169.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 46.5 m -67.58 151.06 47.96 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.2 92.22 0.48 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -57.03 -33.06 66.82 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.244 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' B' ' 20' ' ' ARG . 43.9 tt0 -95.14 -77.56 0.47 Allowed 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.22 76.85 Favored Glycine 0 CA--C 1.503 -0.67 0 C-N-CA 121.191 -0.528 . . . . 0.0 114.397 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -89.78 15.84 9.05 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 59.44 27.41 16.54 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.521 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 3.5 t60 73.1 10.97 5.19 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.869 0.868 . . . . 0.0 111.499 173.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -109.2 156.18 20.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.018 -1.051 . . . . 0.0 111.433 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -72.62 -40.28 66.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -167.511 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HE3' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER 72.92 131.65 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.608 1.163 . . . . 0.0 109.876 -169.684 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.605 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 49.2 mtpt -65.56 -28.88 69.47 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.193 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.9 t -66.41 -34.33 77.71 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 121.318 0.58 . . . . 0.0 110.695 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -82.13 -18.7 41.95 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.606 -0.684 . . . . 0.0 110.579 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 3.4 tm? -63.77 -24.96 67.97 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.219 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.467 ' HB2' HD23 ' B' ' 60' ' ' LEU . 3.9 tmmm? -56.25 -52.71 63.46 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.964 0.887 . . . . 0.0 111.379 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.84 -34.42 77.77 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.317 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' B' ' 40' ' ' LEU . 32.4 tp -67.78 -42.1 82.2 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.447 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.553 ' HA ' ' HB2' ' B' ' 40' ' ' LEU . 10.3 pt -66.22 -43.01 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -63.25 -21.38 66.2 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 121.39 0.614 . . . . 0.0 111.877 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -99.73 -69.36 0.77 Allowed 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.425 ' OE2' ' HB3' ' A' ' 1' ' ' SER . 16.8 tp10 -101.15 -24.14 14.33 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -166.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' B' ' 36' ' ' ILE . 5.3 mp -97.67 -21.72 16.86 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.416 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.7 m -144.47 90.42 2.09 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.455 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -113.97 -40.45 3.73 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -88.65 -4.5 58.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.057 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.6 92.17 5.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.772 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.47 -11.78 16.87 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.228 0.537 . . . . 0.0 110.324 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 12.6 pt-20 -150.61 -153.52 0.49 Allowed 'General case' 0 N--CA 1.42 -1.963 0 C-N-CA 124.407 1.083 . . . . 0.0 108.409 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.445 HG22 ' HG2' ' B' ' 48' ' ' LYS . 75.3 mt 87.18 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 125.177 1.391 . . . . 0.0 111.279 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' B' ' 82' ' ' THR . 29.8 mmmt -137.34 4.98 2.7 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 46' ' ' GLU 0.254 0.0 OUTLIER -62.77 -47.17 84.67 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.315 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -56.17 -34.26 66.02 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.275 0.489 . . . . 0.0 112.232 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -81.74 -57.37 3.47 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.55 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.01 -45.98 79.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' B' ' 57' ' ' MET . 73.3 t -56.11 -40.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -175.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.04 -43.11 88.5 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.602 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -63.33 -35.73 81.35 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.794 0.807 . . . . 0.0 109.713 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.73 -47.31 86.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.417 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -66.03 -28.6 68.98 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.431 0.634 . . . . 0.0 110.257 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.04 -57.06 6.74 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.475 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' B' ' 63' ' ' ASP . 13.7 p -65.04 -40.48 94.84 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 29' ' ' LYS . 6.6 mp -56.03 -31.77 63.43 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -95.72 -50.58 4.87 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.288 0.566 . . . . 0.0 112.14 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.24 -48.68 40.96 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.046 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 59' ' ' THR . 32.4 t70 -76.17 -62.08 1.73 Allowed 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.37 -52.25 1.82 Allowed Glycine 0 CA--C 1.525 0.657 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.585 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 69.44 -46.99 0.59 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.953 2.501 . . . . 0.0 112.569 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.79 -14.08 10.62 Favored Glycine 0 C--N 1.299 -1.499 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 12.1 pt-20 -157.39 -179.03 7.8 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.573 ' HA ' ' OE1' ' B' ' 72' ' ' GLU . 11.0 t -145.84 133.13 20.57 Favored 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 172.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -106.5 166.41 10.57 Favored 'General case' 0 C--N 1.283 -2.292 0 O-C-N 124.155 0.909 . . . . 0.0 109.63 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 78' ' ' ALA . 13.0 p90 -63.82 -24.07 67.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.246 0.546 . . . . 0.0 110.499 178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.08 -39.36 93.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.877 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.573 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 49.7 mt-10 -78.43 -31.24 48.05 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -54.39 -46.6 73.11 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 175.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.523 ' SD ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -65.59 -53.79 36.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.342 174.686 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -49.9 -54.24 20.9 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 123.964 0.79 . . . . 0.0 112.773 -174.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 74.1 m-85 -65.7 -42.83 90.69 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -176.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.445 ' HB ' HD23 ' B' ' 40' ' ' LEU . 10.5 p -71.97 -32.71 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-O 120.998 0.428 . . . . 0.0 110.935 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 70' ' ' PHE . . . -74.87 -33.92 62.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.317 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 75' ' ' ALA 0.267 25.5 ptt? -82.9 -31.34 27.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 118.542 -1.263 . . . . 0.0 113.62 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.83 -39.33 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.541 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.476 HG21 ' HE1' ' A' ' 7' ' ' MET . 11.0 m -85.23 -24.21 27.92 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.99 -177.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 60.1 m -138.3 -102.06 0.18 Allowed 'General case' 0 N--CA 1.435 -1.211 0 O-C-N 121.555 -0.716 . . . . 0.0 112.716 -176.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' B' ' 79' ' ' MET . . . 51.58 173.94 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.05 0.94 . . . . 0.0 112.919 -173.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 60.1 m 66.6 -52.81 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.215 1.406 . . . . 0.0 114.694 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -127.71 70.41 1.33 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 0.9 OUTLIER -62.08 121.86 14.1 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.893 -175.326 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.504 ' HB3' ' CD2' ' A' ' 25' ' ' HIS . 87.4 m-85 72.58 -6.26 1.65 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.746 1.218 . . . . 0.0 112.127 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -103.02 -31.47 10.19 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.939 0.4 . . . . 0.0 110.223 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.36 -40.03 81.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -106.73 -89.67 0.44 Allowed 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -177.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 120.532 0.206 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.27 -33.52 73.68 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.388 0.675 . . . . 0.0 110.325 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.464 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 3.1 tm? -69.86 -32.58 71.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.049 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.86 -52.22 66.0 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.262 0.351 . . . . 0.0 111.188 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.411 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.598 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -82.1 -63.38 1.39 Allowed 'General case' 0 N--CA 1.428 -1.529 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -58.92 -41.11 86.5 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.507 0.504 . . . . 0.0 110.944 -171.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.51 -38.99 82.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.78 94.04 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 6' ' ' ALA . 4.6 mp -64.58 -51.5 62.44 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.958 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -71.02 -31.73 46.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-O 121.143 0.496 . . . . 0.0 112.0 -175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.0 -22.42 31.37 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 10' ' ' LEU . 8.6 p -65.97 -33.16 61.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.61 177.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 69' ' ' ASP . 63.1 m-85 -66.22 -29.35 69.59 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-O 121.46 0.647 . . . . 0.0 110.598 173.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -76.37 -48.52 19.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.164 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -52.85 -44.93 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.716 0.806 . . . . 0.0 110.514 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -84.98 80.23 9.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.021 0.915 . . . . 0.0 108.896 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -75.64 104.82 6.37 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.366 -175.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.5 162.49 47.55 Favored Glycine 0 N--CA 1.425 -2.036 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.945 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -32.77 72.25 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.907 0.86 . . . . 0.0 108.771 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.618 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 65.4 tt0 -115.91 -19.74 10.28 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.479 -1.237 . . . . 0.0 108.145 176.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -59.71 -51.9 56.25 Favored Glycine 0 CA--C 1.499 -0.915 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 173.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -82.9 81.28 8.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 12.8 tmtt? -176.57 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 125.601 1.56 . . . . 0.0 106.844 -175.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -176.32 79.45 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 174.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 10.5 mmpt? 63.5 174.75 0.16 Allowed 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.881 1.272 . . . . 0.0 113.453 176.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -110.57 138.43 46.97 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.011 -0.431 . . . . 0.0 112.115 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.78 150.62 1.4 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.602 1.161 . . . . 0.0 111.979 172.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HA ' ' SG ' ' A' ' 68' ' ' CYS . 82.2 mttt -68.27 -30.19 69.15 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.882 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 1.6 m -62.89 -30.57 71.63 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.19 -30.81 58.16 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.29 -29.15 70.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.295 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 30' ' ' SER . 2.9 tmmt? -56.75 -50.44 72.24 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.998 0.904 . . . . 0.0 111.476 176.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.33 -22.81 61.87 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.224 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.0 tp -75.02 -47.33 29.57 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 HD12 ' A' ' 40' ' ' LEU . 14.8 pt -63.99 -32.18 56.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 CA-C-O 121.947 0.88 . . . . 0.0 111.979 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.11 -41.46 79.0 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.599 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -93.45 -61.69 1.51 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.215 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' B' ' 3' ' ' LEU . 10.1 tp10 -106.24 73.46 0.98 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.957 0.884 . . . . 0.0 110.879 -172.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 77' ' ' VAL . 5.1 tt -175.42 -59.22 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.1 m -58.95 96.28 0.03 OUTLIER 'General case' 0 C--O 1.242 0.693 0 O-C-N 124.709 1.256 . . . . 0.0 109.644 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -159.44 119.39 3.03 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 60.52 53.52 4.12 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.6 mt -81.36 85.02 6.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -94.32 -52.79 4.19 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.37 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.73 -47.72 81.61 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.517 -1.22 . . . . 0.0 111.23 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.448 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 47.5 mm 66.12 71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.375 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -144.79 10.77 1.38 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.482 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.577 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -89.3 -15.26 33.88 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.555 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -48.57 -29.97 4.82 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.631 1.572 . . . . 0.0 111.69 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.45 -58.8 3.03 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 HG12 ' A' ' 80' ' ' VAL . 47.1 t -72.02 -31.61 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 CA-C-N 114.602 -1.181 . . . . 0.0 113.175 -172.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 56' ' ' VAL . 75.4 t -68.23 -39.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 122.036 -0.415 . . . . 0.0 111.379 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.63 -37.5 84.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.148 0.975 . . . . 0.0 108.888 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -27.11 61.5 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.537 -1.211 . . . . 0.0 112.59 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.3 p -70.4 -36.57 67.23 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -67.84 -40.24 83.74 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.54 -58.47 8.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.31 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 p -64.85 -42.79 94.6 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 18.3 tp -53.29 -46.17 69.22 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 123.922 0.764 . . . . 0.0 110.87 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.05 -41.86 21.97 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.578 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -59.52 -43.12 93.5 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.767 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -77.46 -77.42 0.15 Allowed 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.978 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.05 32.9 5.03 Favored Glycine 0 N--CA 1.475 1.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 114.285 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.01 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.63 64.61 0.54 Allowed Glycine 0 CA--C 1.465 -3.089 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 63.17 178.73 0.15 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 126.096 1.758 . . . . 0.0 110.457 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 13.9 p -148.64 156.04 41.86 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 15.9 t70 -160.43 -144.31 0.11 Allowed 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' B' ' 78' ' ' ALA . 48.1 p90 -40.57 -50.2 2.97 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.582 1.953 . . . . 0.0 115.596 -172.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -62.51 -54.48 39.3 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.675 0.75 . . . . 0.0 110.669 -174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.37 -33.1 61.02 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.477 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.585 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.4 t80 -54.63 -56.88 14.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.517 ' SD ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -58.1 -40.59 81.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.577 -178.381 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 -50.2 69.88 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.456 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -64.95 -48.2 74.9 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.609 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.3 p -65.89 -50.95 66.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -22.96 65.1 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.439 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.657 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 24.4 ptt? -80.38 -38.12 30.96 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.379 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG12 HG12 ' A' ' 52' ' ' VAL . 33.0 m -73.88 -34.56 40.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.242 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -84.58 -43.67 14.25 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -110.78 -49.56 3.03 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 79' ' ' MET . . . -65.05 -7.52 12.38 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 49' ' ' GLU . 85.3 m -61.33 -22.25 64.74 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.587 0.708 . . . . 0.0 109.879 172.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.0 27.92 3.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.223 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 65.0 -85.08 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.282 1.433 . . . . 0.0 112.802 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.93 -39.09 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.417 0 CA-C-O 117.936 -1.031 . . . . 0.0 111.368 -172.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -33.19 -38.37 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -171.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -62.97 -31.51 72.63 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.708 0.766 . . . . 0.0 110.394 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -110.36 -62.2 1.55 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.179 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 . . . . . 0 C--O 1.256 1.402 0 CA-C-O 117.701 -1.142 . . . . 0.0 108.534 -174.245 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 109.52 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 3.1 tm? -70.83 -34.83 72.1 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.781 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.83 -46.69 87.09 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -69.62 -29.6 67.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.113 0.483 . . . . 0.0 110.189 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.602 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -81.97 -63.65 1.34 Allowed 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -58.3 -40.61 82.45 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.421 0.451 . . . . 0.0 111.032 -171.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 63.6 t -66.97 -39.9 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.667 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.61 90.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.602 HD12 ' O ' ' B' ' 6' ' ' ALA . 4.6 mp -66.8 -52.01 49.02 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.96 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 45.0 pt -70.51 -31.77 47.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.147 0.498 . . . . 0.0 111.893 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.66 -22.7 32.06 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.531 HG12 ' O ' ' B' ' 10' ' ' LEU . 10.0 p -66.26 -33.1 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.603 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -65.93 -29.52 69.95 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 121.502 0.668 . . . . 0.0 110.626 173.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -76.43 -48.96 17.94 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.658 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -52.24 -43.11 64.14 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.444 1.097 . . . . 0.0 111.256 176.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -89.78 79.99 6.61 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.0 m -72.52 124.53 25.41 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.837 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.25 163.76 21.13 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.143 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -73.34 -28.77 62.24 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 122.139 0.971 . . . . 0.0 108.881 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' B' ' 24' ' ' LYS . 38.7 tt0 -117.7 -21.78 8.33 Favored 'General case' 0 N--CA 1.422 -1.865 0 CA-C-N 114.11 -1.404 . . . . 0.0 108.271 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 26' ' ' LYS . . . -59.02 -48.85 83.91 Favored Glycine 0 C--N 1.343 0.922 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 172.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.04 79.63 9.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' B' ' 21' ' ' GLU . 13.5 tmtt? -174.62 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 -175.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -174.37 78.02 0.03 OUTLIER 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.321 173.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 10.7 mmpt? 64.0 174.89 0.18 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 125.142 1.377 . . . . 0.0 113.233 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.8 134.47 52.0 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -173.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -45.95 148.61 0.78 Allowed 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 125.171 1.389 . . . . 0.0 112.059 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 83.8 mttt -67.04 -29.65 69.51 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.344 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.3 m -63.62 -28.53 69.98 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.429 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -78.24 -31.73 49.35 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.421 0.629 . . . . 0.0 109.706 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.8 -29.33 70.08 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.048 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' B' ' 30' ' ' SER . 1.8 tmmt? -57.36 -48.2 79.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.842 0.857 . . . . 0.0 111.756 175.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.48 -25.56 60.51 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.285 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.29 -47.86 46.76 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.699 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.543 HG22 HD12 ' B' ' 40' ' ' LEU . 16.3 pt -63.62 -32.99 58.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 CA-C-O 121.903 0.859 . . . . 0.0 112.048 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -57.04 -38.25 72.94 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.063 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -97.49 -63.58 1.12 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.361 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 3' ' ' LEU . 10.8 tp10 -103.12 73.16 1.21 Allowed 'General case' 0 N--CA 1.427 -1.61 0 CA-C-O 121.972 0.892 . . . . 0.0 110.257 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HG23 ' B' ' 77' ' ' VAL . 5.3 tt -177.61 -52.1 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.308 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 37.6 m -60.25 95.29 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.668 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -159.69 116.96 2.63 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-N 114.781 -1.099 . . . . 0.0 108.07 -174.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 61.62 51.8 3.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.81 86.65 5.96 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.29 -46.6 5.22 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.223 -173.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.71 -40.15 94.02 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.035 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.441 ' HA ' ' OE1' ' B' ' 49' ' ' GLU . 44.3 mm 57.87 70.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-O 122.742 1.258 . . . . 0.0 111.582 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -146.55 10.94 1.11 Allowed 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 113.53 -1.668 . . . . 0.0 108.524 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -88.88 -17.68 29.13 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 113.787 -1.552 . . . . 0.0 107.386 -179.343 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -45.35 -35.95 3.88 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.674 1.59 . . . . 0.0 111.636 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -74.78 -56.14 5.1 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.184 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.496 HG12 HG12 ' B' ' 80' ' ' VAL . 53.7 t -73.1 -32.21 38.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.039 -173.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.656 ' O ' HG12 ' B' ' 56' ' ' VAL . 72.0 t -67.79 -39.86 82.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 C-N-CA 122.778 0.431 . . . . 0.0 111.26 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.35 -36.41 82.81 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 122.288 1.042 . . . . 0.0 108.771 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -75.36 -25.26 57.58 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.201 -1.363 . . . . 0.0 112.522 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.656 HG12 ' O ' ' B' ' 53' ' ' VAL . 1.1 p -72.11 -36.18 55.8 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.898 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.5 mmt -67.14 -40.33 86.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -61.0 2.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.236 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 17.3 p -61.77 -42.84 99.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 19.2 tp -52.52 -47.96 66.32 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 124.002 0.814 . . . . 0.0 110.976 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.8 -43.22 22.83 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.803 -1.089 . . . . 0.0 112.541 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -59.72 -39.39 84.5 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.462 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.16 -77.62 0.19 Allowed 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.98 37.46 5.51 Favored Glycine 0 N--CA 1.48 1.619 0 O-C-N 123.375 0.422 . . . . 0.0 113.951 -177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.05 -72.91 0.07 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.09 65.35 0.4 Allowed Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 64.36 178.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.92 1.688 . . . . 0.0 110.462 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 15.2 p -149.04 156.23 41.93 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.41 ' OD2' ' HD1' ' B' ' 70' ' ' PHE . 13.0 t70 -158.06 -145.97 0.15 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.41 ' HD1' ' OD2' ' B' ' 69' ' ' ASP . 54.5 p90 -40.6 -47.55 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -62.69 -58.36 7.77 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.585 0.707 . . . . 0.0 110.118 -174.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -72.55 -32.32 65.98 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.268 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.615 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.9 t80 -55.18 -56.91 14.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.501 ' SD ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -57.99 -42.12 84.46 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.143 0.902 . . . . 0.0 111.299 -178.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.73 -51.99 66.1 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.407 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -63.82 -48.92 74.9 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.239 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.616 HG23 ' HG ' ' B' ' 40' ' ' LEU . 6.9 p -64.79 -51.8 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . . . -68.38 -22.62 64.63 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.567 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.687 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 24.5 ptt? -80.18 -37.68 32.8 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 118.344 -1.342 . . . . 0.0 111.201 176.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.496 HG12 HG12 ' B' ' 52' ' ' VAL . 31.8 m -73.78 -34.3 40.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.292 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 -47.15 10.98 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.922 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -108.18 -47.24 3.58 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -172.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' B' ' 79' ' ' MET . . . -67.13 -3.72 8.27 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -173.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' B' ' 49' ' ' GLU . 77.8 m -67.92 -14.49 63.0 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.694 0.759 . . . . 0.0 109.584 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -140.59 28.47 1.99 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.491 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 62.85 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.281 -1.327 . . . . 0.0 113.674 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -175.63 -38.28 0.01 OUTLIER 'General case' 0 C--O 1.181 -2.544 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.187 -173.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -33.72 -39.78 0.07 Allowed 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 117.181 2.289 . . . . 0.0 117.181 -171.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -61.63 -32.91 73.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.504 0.669 . . . . 0.0 110.224 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -108.57 -61.51 1.59 Allowed 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.191 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.494 ' OE2' ' HE3' ' A' ' 26' ' ' LYS . 14.3 tp10 . . . . . 0 C--N 1.356 0.876 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -173.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 33.9 m . . . . . 0 C--O 1.243 0.717 0 CA-C-O 121.541 0.686 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 7.2 tp10 -82.7 -38.66 23.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.45 HD11 ' CE1' ' B' ' 73' ' ' PHE . 3.9 mm? -66.8 -27.7 67.78 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.25 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' HB3' ' O ' ' A' ' 1' ' ' SER . 39.2 tt0 -55.03 -60.21 3.68 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.432 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 16.2 ptpt -63.79 -29.89 71.04 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.223 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.73 -49.95 34.68 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -68.91 -42.16 77.21 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.46 -34.24 67.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.548 -177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.87 80.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.444 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.8 mt -58.52 -41.3 85.15 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.692 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 pt -82.89 -39.4 15.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 C-N-CA 119.821 -0.752 . . . . 0.0 112.904 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.95 -40.15 68.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.919 -0.488 . . . . 0.0 111.256 -174.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.15 -32.2 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 121.27 0.557 . . . . 0.0 109.524 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.08 -42.48 99.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.054 177.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' HB2' ' OXT' ' B' ' 91' ' ' GLU . 69.2 t60 -60.63 -44.0 96.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.17 175.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -52.53 -26.63 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -87.26 90.05 8.22 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 172.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 126.72 52.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.678 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.537 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -84.96 162.04 36.77 Favored Glycine 0 N--CA 1.425 -2.037 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 173.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.52 68.59 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 117.231 0.516 . . . . 0.0 109.804 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -156.44 -70.45 0.11 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.565 1.146 . . . . 0.0 110.163 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.9 -39.6 97.74 Favored Glycine 0 CA--C 1.509 -0.337 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.805 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.537 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 22.7 m-20 -84.61 4.17 33.49 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.445 0.641 . . . . 0.0 110.339 -177.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -97.72 -26.59 14.68 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -87.61 -55.42 3.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 45.4 mtmt -119.28 131.89 55.82 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 172.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.48 -33.52 54.55 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -171.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 70.78 138.93 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.375 1.07 . . . . 0.0 110.217 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' CE ' ' HA3' ' A' ' 64' ' ' GLY . 44.6 mttm -72.81 -19.43 61.33 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 19.0 m -61.72 -26.72 68.22 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.127 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -85.71 -33.12 21.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 109.413 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.62 -29.51 70.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.156 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 30' ' ' SER 0.256 0.0 OUTLIER -64.31 -27.84 69.31 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 178.807 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.75 -31.39 59.54 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.83 0.824 . . . . 0.0 109.501 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD21 ' CZ ' ' A' ' 73' ' ' PHE . 31.2 tp -71.8 -40.84 68.9 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.642 HG22 HD22 ' A' ' 40' ' ' LEU . 6.2 pt -66.3 -43.52 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -61.99 -26.15 68.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.868 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.529 HD22 ' HG2' ' A' ' 39' ' ' GLU . 6.5 t30 -97.05 -62.22 1.29 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HG2' HD22 ' A' ' 38' ' ' ASN . 26.1 mm-40 -91.94 -52.91 4.5 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -173.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.642 HD22 HG22 ' A' ' 36' ' ' ILE . 4.1 mp -67.18 -33.78 76.13 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.406 -170.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -122.68 74.88 1.22 Allowed 'General case' 0 N--CA 1.42 -1.973 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.189 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -119.69 14.93 12.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.224 -1.353 . . . . 0.0 107.377 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -110.51 87.37 2.51 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.652 -1.158 . . . . 0.0 107.997 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.95 70.04 9.43 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.773 0.797 . . . . 0.0 110.724 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -124.99 -77.79 0.59 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.546 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.52 -33.61 60.75 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.672 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm 58.44 76.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.326 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -93.45 -13.58 27.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 122.064 0.935 . . . . 0.0 109.438 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' HB2' ' CG2' ' A' ' 53' ' ' VAL . 4.9 pt-20 -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.24 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -52.98 -40.76 63.99 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 112.14 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -81.93 -55.83 4.35 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 122.048 0.928 . . . . 0.0 110.608 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 79' ' ' MET . 58.0 t -72.13 -38.08 61.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.559 ' O ' ' HG2' ' A' ' 57' ' ' MET . 37.6 t -56.3 -41.09 69.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 118.084 0.402 . . . . 0.0 111.771 -177.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.94 -44.91 95.79 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.06 0.457 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.34 -36.15 83.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.541 0.686 . . . . 0.0 109.838 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 12.2 t -62.92 -44.22 99.48 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 C-N-CA 124.773 1.229 . . . . 0.0 110.597 174.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 25.1 mmt -66.38 -29.56 69.76 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.019 0.438 . . . . 0.0 110.607 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -73.59 -53.26 10.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.963 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 p -62.31 -34.78 77.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.754 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 3.5 tp -44.43 -40.99 5.9 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 126.266 1.826 . . . . 0.0 110.836 175.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.32 -49.78 3.28 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.717 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -46.82 43.55 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -72.18 -32.3 66.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -170.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.443 ' HA3' ' CE ' ' A' ' 29' ' ' LYS . . . -125.68 -172.94 13.51 Favored Glycine 0 N--CA 1.438 -1.224 0 C-N-CA 119.624 -1.274 . . . . 0.0 113.562 -177.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.35 -51.27 4.44 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 123.794 0.838 . . . . 0.0 111.14 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.68 42.15 0.02 OUTLIER Glycine 0 C--N 1.283 -2.403 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -174.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.08 156.13 45.03 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 124.176 0.99 . . . . 0.0 110.78 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.4 m -141.27 139.78 33.76 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.806 171.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.21 163.4 24.79 Favored 'General case' 0 C--N 1.277 -2.578 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -64.9 -23.49 67.24 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 117.938 0.335 . . . . 0.0 111.27 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.32 -35.18 78.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.09 -0.644 . . . . 0.0 109.66 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.54 -29.39 37.16 Favored 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -58.58 -44.88 89.95 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 176.107 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -50.02 72.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.651 172.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -55.56 -54.21 46.84 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.748 -177.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -64.12 -40.52 96.37 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.06 -43.19 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.028 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.583 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -67.9 -29.38 68.46 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.66 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 75' ' ' ALA 0.293 23.6 ptt? -85.35 -34.63 21.76 Favored 'General case' 0 N--CA 1.425 -1.702 0 C-N-CA 118.594 -1.243 . . . . 0.0 113.417 177.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.1 m -76.32 -37.33 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -84.83 -53.13 5.54 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.254 0.55 . . . . 0.0 111.226 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.583 ' HB ' ' O ' ' A' ' 78' ' ' ALA . 21.0 m -89.99 -70.33 0.67 Allowed 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.125 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 54.75 38.41 30.09 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.662 0.785 . . . . 0.0 110.365 -176.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m 75.32 -9.93 1.32 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.214 1.406 . . . . 0.0 112.773 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -85.25 141.29 30.21 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 79.59 -21.56 0.33 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.988 1.315 . . . . 0.0 111.797 -173.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -80.64 -7.02 59.16 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.438 0.637 . . . . 0.0 111.589 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.6 -33.17 5.63 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 119.513 -0.875 . . . . 0.0 111.187 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.61 -61.03 2.12 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -73.68 -54.68 7.55 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' OXT' ' HB2' ' B' ' 15' ' ' HIS . 41.5 tt0 . . . . . 0 N--CA 1.433 -1.305 0 O-C-N 126.064 2.103 . . . . 0.0 105.44 -171.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' B' ' 4' ' ' GLU . 57.1 m . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 120.856 0.36 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 6.8 tp10 -81.65 -39.93 23.65 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -175.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 73' ' ' PHE . 3.7 mm? -67.42 -25.28 65.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.38 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' B' ' 1' ' ' SER . 37.4 tt0 -56.83 -60.53 3.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.445 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 17.7 ptpt -60.93 -29.88 69.88 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.446 -176.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.57 -52.33 13.84 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -65.75 -43.36 89.19 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.66 -33.49 63.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -47.21 79.01 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.863 0.364 . . . . 0.0 110.454 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.12 -40.11 84.4 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.764 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 pt -83.52 -41.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 C-N-CA 119.911 -0.716 . . . . 0.0 112.653 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HG3' ' B' ' 16' ' ' GLN . 20.9 t70 -68.73 -41.35 79.1 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.749 0.309 . . . . 0.0 111.364 -175.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.25 -31.64 47.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.33 -45.69 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 177.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.518 ' HB2' ' OXT' ' A' ' 91' ' ' GLU . 73.7 t60 -58.46 -44.36 89.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.937 176.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.7 mt-30 -51.07 -29.01 11.74 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.595 0.559 . . . . 0.0 112.5 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -84.09 87.06 7.13 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -103.85 122.9 46.11 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.458 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' B' ' 23' ' ' ASP . . . -81.16 165.0 46.52 Favored Glycine 0 N--CA 1.433 -1.524 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -37.92 73.37 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 117.583 0.691 . . . . 0.0 109.635 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -151.41 -64.08 0.18 Allowed 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.097 0.559 . . . . 0.0 110.784 172.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.33 -42.34 96.15 Favored Glycine 0 CA--C 1.501 -0.789 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.627 ' HB2' ' HA3' ' B' ' 19' ' ' GLY . 21.5 m-20 -80.97 -0.17 38.26 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 121.201 0.524 . . . . 0.0 110.015 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -94.52 -20.15 19.9 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -93.94 -56.17 2.97 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 48.0 mtmt -120.44 130.95 54.55 Favored 'General case' 0 N--CA 1.42 -1.964 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.51 -34.39 60.81 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -171.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' C ' ' B' ' 66' ' ' GLY . 10.4 mptt 71.6 139.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.71 1.204 . . . . 0.0 110.079 -172.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' CE ' ' HA3' ' B' ' 64' ' ' GLY . 44.9 mttm -73.03 -19.07 61.26 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.518 ' O ' ' HG3' ' B' ' 33' ' ' LYS . 12.7 m -60.44 -28.42 68.27 Favored 'General case' 0 CA--C 1.561 1.394 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.914 174.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -85.56 -31.91 22.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.586 -0.696 . . . . 0.0 109.221 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.36 -28.78 70.23 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.934 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' B' ' 30' ' ' SER 0.263 0.0 OUTLIER -66.11 -23.03 66.42 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.715 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.43 -38.47 49.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.071 0.939 . . . . 0.0 108.736 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.557 HD21 ' CZ ' ' B' ' 73' ' ' PHE . 31.2 tp -65.59 -40.06 92.26 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.075 -1.42 . . . . 0.0 111.201 -178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.594 HG22 HD22 ' B' ' 40' ' ' LEU . 6.6 pt -66.93 -42.21 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -63.79 -27.03 68.91 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.93 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -97.51 -57.62 2.2 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -94.85 -53.58 3.79 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.594 HD22 HG22 ' B' ' 36' ' ' ILE . 4.2 mp -65.95 -36.91 84.64 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.47 -0.787 . . . . 0.0 112.567 -170.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -121.73 77.17 1.33 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 118.424 -1.311 . . . . 0.0 108.79 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -121.17 18.37 11.56 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -114.17 87.44 2.63 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.91 66.81 7.03 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.481 0.658 . . . . 0.0 110.358 -174.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -123.07 -68.23 0.9 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.622 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.62 -33.04 28.02 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.331 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm 57.36 80.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 124.053 0.941 . . . . 0.0 111.899 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' B' ' 83' ' ' ALA . 30.5 mmmt -98.41 -15.05 19.81 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 122.125 0.964 . . . . 0.0 109.237 176.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.13 -33.74 67.69 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.839 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -53.76 -41.85 67.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.192 0.52 . . . . 0.0 111.816 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.28 -54.28 5.37 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.906 0.86 . . . . 0.0 110.798 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.466 HG21 ' O ' ' B' ' 79' ' ' MET . 54.5 t -74.27 -38.64 48.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -168.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' B' ' 57' ' ' MET . 26.5 t -56.18 -42.48 73.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 118.034 0.379 . . . . 0.0 111.558 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.48 -42.18 98.38 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 120.889 0.376 . . . . 0.0 111.614 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.33 -34.99 75.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.427 0.632 . . . . 0.0 109.777 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.604 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 10.6 t -62.86 -42.67 97.31 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.796 0 C-N-CA 124.332 1.053 . . . . 0.0 110.36 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 25.1 mmt -69.62 -20.52 63.61 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.374 0.607 . . . . 0.0 110.951 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -80.76 -56.63 4.01 Favored 'General case' 0 N--CA 1.432 -1.331 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 p -59.78 -34.9 73.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.474 0.71 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.604 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 3.6 tp -45.07 -40.57 6.85 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.889 1.676 . . . . 0.0 110.706 175.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -106.88 -45.73 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.218 -1.355 . . . . 0.0 113.284 -175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.18 -47.6 19.86 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -73.38 -31.62 64.01 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -170.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.483 ' HA3' ' CE ' ' B' ' 29' ' ' LYS . . . -124.07 -172.18 13.62 Favored Glycine 0 N--CA 1.433 -1.523 0 C-N-CA 119.353 -1.403 . . . . 0.0 113.16 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -102.6 -46.08 4.85 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 123.669 0.788 . . . . 0.0 111.379 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.428 ' C ' ' HA ' ' B' ' 28' ' ' LYS . . . 153.92 41.7 0.02 OUTLIER Glycine 0 C--N 1.285 -2.271 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -174.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 154.72 47.9 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 124.222 1.009 . . . . 0.0 110.769 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.6 m -139.96 145.24 37.62 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.332 171.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -134.21 164.05 28.25 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -63.57 -24.7 67.92 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 122.363 0.265 . . . . 0.0 111.307 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.53 -35.53 80.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.753 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -82.28 -28.8 31.55 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' B' ' 35' ' ' LEU . 0.6 OUTLIER -58.76 -44.98 90.73 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.433 -1.692 . . . . 0.0 106.433 175.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -47.69 82.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.748 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -56.41 -56.08 25.54 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.256 -177.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -63.35 -40.56 97.61 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.86 -42.94 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.138 -179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.585 ' O ' ' HB ' ' B' ' 82' ' ' THR . . . -68.49 -30.01 68.75 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.566 -177.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.509 ' O ' ' HB2' ' B' ' 83' ' ' ALA 0.295 23.7 ptt? -85.07 -34.21 22.29 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 118.633 -1.227 . . . . 0.0 113.496 177.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -76.96 -36.71 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 119.002 -1.079 . . . . 0.0 112.185 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.9 m -85.17 -53.96 4.92 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.403 0.62 . . . . 0.0 111.361 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' B' ' 78' ' ' ALA . 18.4 m -89.32 -69.76 0.7 Allowed 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.737 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 56.19 34.98 24.94 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.69 0.796 . . . . 0.0 110.35 -177.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 61.9 m 76.97 -7.71 1.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.846 1.659 . . . . 0.0 112.389 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.27 144.93 27.16 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.482 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 9.8 mm-40 78.05 -18.36 0.51 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.172 0.989 . . . . 0.0 110.801 -173.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -86.1 -10.01 55.65 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.485 0.659 . . . . 0.0 111.123 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -112.31 -36.46 5.29 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 119.346 -0.942 . . . . 0.0 111.155 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -74.93 -59.38 2.76 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.482 ' HB3' ' O ' ' B' ' 86' ' ' GLU . 19.1 t-80 -75.53 -55.67 5.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.488 ' OXT' ' HB2' ' A' ' 15' ' ' HIS . 40.4 tt0 . . . . . 0 N--CA 1.439 -1.021 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 -172.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.446 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 10.4 m . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.15 -46.68 64.21 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.493 HD11 HG11 ' B' ' 77' ' ' VAL . 22.3 tp -80.71 -37.72 30.14 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.279 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' OE2' ' HB2' ' B' ' 42' ' ' HIS . 45.2 mt-10 -51.46 -53.89 32.52 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 123.919 0.762 . . . . 0.0 111.838 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 1' ' ' SER . 21.8 pttm -69.64 -30.28 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.771 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -70.78 -44.25 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.65 -178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -62.46 -47.07 85.64 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.028 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 4' ' ' GLU . 89.0 t -59.98 -47.44 91.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.06 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.028 178.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.41 75.89 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 6' ' ' ALA . 60.8 mt -63.87 -44.33 93.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.007 0.432 . . . . 0.0 111.917 -176.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.5 mt -80.27 -35.32 15.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-O 121.25 0.547 . . . . 0.0 111.329 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 37.2 t70 -71.26 -38.58 71.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.302 -177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.8 -32.26 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.379 0.609 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -82.28 10.69 6.48 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 122.565 1.174 . . . . 0.0 109.598 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 -33.49 4.82 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.532 -1.213 . . . . 0.0 109.792 175.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 50.9 mt-30 -60.37 -38.23 83.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -47.34 -47.48 25.79 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.983 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.61 -31.91 6.52 Favored Glycine 0 N--CA 1.423 -2.215 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 21' ' ' GLU . 7.0 ppt_? -75.35 -34.94 61.22 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 tp10 -109.74 -50.58 2.97 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.713 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . -57.82 -48.89 78.99 Favored Glycine 0 C--O 1.181 -3.193 0 CA-C-N 113.544 -1.662 . . . . 0.0 113.344 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -85.62 12.23 9.17 Favored 'General case' 0 C--N 1.283 -2.301 0 CA-C-N 118.248 1.024 . . . . 0.0 113.373 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -112.19 -40.84 4.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.147 0.498 . . . . 0.0 110.62 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.438 ' HB3' ' HG2' ' A' ' 67' ' ' GLU . 15.8 m-70 -112.4 -28.79 7.75 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.382 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HE2' ' O ' ' A' ' 22' ' ' GLY . 9.0 mmpt? 80.74 -162.42 0.02 OUTLIER 'General case' 0 C--O 1.239 0.519 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 -160.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.79 135.78 48.63 Favored 'General case' 0 C--N 1.282 -2.333 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.718 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -53.55 144.88 16.19 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 124.533 1.146 . . . . 0.0 108.395 170.341 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 16.3 ptpt -69.55 -20.08 63.68 Favored 'General case' 0 C--O 1.207 -1.136 0 C-N-CA 118.899 -1.12 . . . . 0.0 111.987 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' HE3' ' A' ' 33' ' ' LYS . 3.1 p -62.44 -32.04 72.85 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.724 173.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -84.67 -17.46 38.46 Favored 'General case' 0 CA--C 1.511 -0.529 0 O-C-N 121.908 -0.495 . . . . 0.0 112.148 175.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.4 tm? -60.86 -22.18 63.99 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.598 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -54.57 -38.24 66.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.71 172.409 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.52 -39.0 88.41 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 123.011 0.524 . . . . 0.0 110.544 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.6 -59.85 4.08 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.435 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG22 HD12 ' A' ' 40' ' ' LEU . 21.4 pt -64.61 -35.02 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -175.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -64.64 -29.0 70.0 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.195 0.521 . . . . 0.0 111.218 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -110.14 -60.74 1.76 Allowed 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -97.08 74.35 2.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 122.15 0.976 . . . . 0.0 109.495 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 HG22 ' A' ' 36' ' ' ILE . 1.6 tt -170.48 -65.92 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -86.08 89.23 7.75 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.822 -173.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' HB2' ' OE2' ' B' ' 4' ' ' GLU . 36.5 m80 -127.48 -61.04 1.16 Allowed 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 167.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' B' ' 4' ' ' GLU . 42.7 p90 -99.12 -7.91 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 118.757 -1.177 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 3.0 mm? -91.27 92.28 8.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.608 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -149.37 18.49 0.94 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -126.79 -20.99 4.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -163.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.06 -80.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 C-N-CA 118.875 -1.13 . . . . 0.0 110.546 -172.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -127.11 -71.6 0.67 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 105.653 -1.981 . . . . 0.0 105.653 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 53' ' ' VAL . 33.3 mt-10 55.37 -65.24 0.02 OUTLIER 'General case' 0 C--O 1.202 -1.398 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 164.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -51.3 -42.11 60.95 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -74.38 -28.28 61.03 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 122.1 0.953 . . . . 0.0 110.037 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 80' ' ' VAL . 3.5 t -87.51 -28.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.516 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.668 ' O ' HG12 ' A' ' 56' ' ' VAL . 97.9 t -63.68 -50.11 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.985 0.421 . . . . 0.0 110.774 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.63 -34.52 78.47 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.336 0.588 . . . . 0.0 110.69 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -30.71 57.14 Favored 'General case' 0 N--CA 1.423 -1.818 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.416 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 53' ' ' VAL . 3.0 p -71.06 -39.69 74.78 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 26.6 mmt -66.35 -33.11 74.98 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.162 0.506 . . . . 0.0 109.852 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.89 -57.12 4.92 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.487 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -65.21 -42.11 93.8 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 29' ' ' LYS . 17.6 tp -58.46 -43.24 88.81 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.532 0.682 . . . . 0.0 110.453 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.38 -38.36 65.7 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.32 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.03 -44.15 85.52 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.811 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.14 -44.15 85.02 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . 78.51 -124.49 6.68 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 116.387 1.315 . . . . 0.0 116.387 168.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 12.6 m-20 -86.32 161.44 18.72 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.455 -176.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.44 9.15 4.61 Favored Glycine 0 C--N 1.312 -0.75 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.817 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 28' ' ' LYS 0.266 1.1 mp0 56.52 160.19 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 176.169 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 29' ' ' LYS . 58.8 m -96.74 142.16 29.1 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.912 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.27 163.33 15.42 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 171.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -61.79 -28.86 69.76 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.165 0.507 . . . . 0.0 111.318 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -66.52 -33.74 76.37 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.458 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' ' HD1' ' A' ' 76' ' ' PHE . 46.5 mt-10 -72.35 -31.85 65.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' O ' HG12 ' A' ' 77' ' ' VAL . 1.6 t80 -59.55 -47.18 86.55 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.418 ' SD ' HD12 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -70.4 -40.75 73.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.42 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 72' ' ' GLU . . . -57.31 -59.09 5.65 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.467 ' HD1' ' O ' ' A' ' 72' ' ' GLU . 90.5 m-85 -61.49 -42.57 98.99 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -175.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.2 p -69.01 -45.78 79.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.18 72.39 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.226 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.486 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 26.9 ptt? -78.07 -28.14 48.77 Favored 'General case' 0 C--O 1.198 -1.607 0 C-N-CA 119.215 -0.994 . . . . 0.0 112.673 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' HA ' HG11 ' A' ' 52' ' ' VAL . 34.2 m -69.44 -37.27 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 C-N-CA 118.145 -1.422 . . . . 0.0 109.386 175.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -67.1 -47.52 70.95 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.281 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 36.4 p -93.53 -80.38 0.39 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . 62.25 -78.2 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.276 1.83 . . . . 0.0 114.834 176.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -85.96 -8.44 57.98 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.776 -173.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' O ' ' HB ' ' A' ' 82' ' ' THR . 56.3 t-80 -133.35 127.68 34.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -76.24 137.79 40.19 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.661 ' HA ' ' C ' ' A' ' 91' ' ' GLU . 3.7 p90 -60.53 96.14 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.171 0.986 . . . . 0.0 110.941 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -109.53 -78.48 0.59 Allowed 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 114.978 -1.01 . . . . 0.0 108.97 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -72.4 -24.28 61.22 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.026 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -172.62 -33.42 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.116 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.661 ' C ' ' HA ' ' A' ' 87' ' ' PHE . 19.0 mp0 . . . . . 0 C--O 1.281 2.763 0 N-CA-C 100.299 -3.963 . . . . 0.0 100.299 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 32.4 m . . . . . 0 C--O 1.243 0.732 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.86 -48.17 59.83 Favored 'General case' 0 N--CA 1.429 -1.524 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.484 HD11 HG11 ' A' ' 77' ' ' VAL . 19.8 tp -80.36 -38.4 30.52 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.564 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.536 ' OE2' ' HB2' ' A' ' 42' ' ' HIS . 45.1 mt-10 -50.3 -53.63 27.24 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 123.819 0.699 . . . . 0.0 112.046 -178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' B' ' 1' ' ' SER . 23.5 pttm -69.45 -33.97 73.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.6 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' B' ' 10' ' ' LEU . . . -68.2 -44.13 76.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.346 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -61.95 -45.85 91.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.936 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -60.94 -44.32 97.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.799 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.214 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.78 74.91 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 6' ' ' ALA . 53.8 mt -63.92 -44.63 92.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.133 -175.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.5 mt -79.47 -35.39 16.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.46 -38.8 68.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.45 -32.33 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.89 11.25 5.18 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 122.691 1.234 . . . . 0.0 109.59 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.13 -33.2 4.21 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 124.967 1.307 . . . . 0.0 110.161 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -61.65 -32.91 73.1 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.635 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -49.69 -50.57 43.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -161.58 142.37 10.94 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -175.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.93 -33.0 4.49 Favored Glycine 0 N--CA 1.433 -1.542 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -73.82 -30.28 62.62 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 111.619 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.75 -51.78 2.65 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.733 ' O ' ' HE2' ' B' ' 26' ' ' LYS . . . -56.55 -46.97 87.39 Favored Glycine 0 C--O 1.177 -3.454 0 CA-C-N 113.671 -1.604 . . . . 0.0 113.104 -174.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.1 8.17 21.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 118.362 1.081 . . . . 0.0 113.487 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -108.61 -44.62 4.02 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.245 0.545 . . . . 0.0 110.542 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.454 ' O ' ' HG2' ' B' ' 67' ' ' GLU . 22.4 m-70 -107.36 -29.08 9.48 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.891 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.733 ' HE2' ' O ' ' B' ' 22' ' ' GLY . 8.9 mmpt? 79.85 -163.12 0.02 OUTLIER 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -159.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 67' ' ' GLU . 7.2 mp -106.82 136.51 46.52 Favored 'General case' 0 C--N 1.287 -2.137 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.499 -176.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HB2' ' HA ' ' B' ' 65' ' ' ASP . 0.0 OUTLIER -55.24 145.76 20.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 O-C-N 124.541 1.151 . . . . 0.0 108.198 170.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HA ' ' SG ' ' B' ' 68' ' ' CYS . 17.1 ptpt -70.66 -20.01 62.75 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.04 -1.064 . . . . 0.0 112.807 -173.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 4.2 p -63.38 -30.3 71.46 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 120.712 0.291 . . . . 0.0 110.415 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -84.93 -17.59 37.28 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.0 111.81 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.43 HD13 ' O ' ' B' ' 32' ' ' LEU . 3.4 tm? -61.28 -22.31 64.73 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 173.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.45 -38.83 66.79 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.601 172.492 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.42 -36.57 81.52 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.176 0.513 . . . . 0.0 110.983 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.25 -60.15 3.55 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.137 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.517 HG22 HD12 ' B' ' 40' ' ' LEU . 22.7 pt -64.86 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -176.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -64.12 -32.67 74.33 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.127 0.489 . . . . 0.0 110.89 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -108.32 -61.2 1.62 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -175.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -96.1 75.07 3.02 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 122.142 0.972 . . . . 0.0 109.333 -175.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.517 HD12 HG22 ' B' ' 36' ' ' ILE . 1.8 tt -171.88 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.1 m -85.58 89.95 7.85 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.913 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.551 ' HB2' ' OE2' ' A' ' 4' ' ' GLU . 36.2 m80 -131.26 -67.5 0.7 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 168.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -92.58 -20.1 21.25 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 117.965 -1.494 . . . . 0.0 110.161 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.94 96.17 6.32 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.527 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -149.43 21.94 0.93 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.66 -25.9 3.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -164.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.46 -80.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 118.811 0.732 . . . . 0.0 111.816 -170.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -129.33 -69.65 0.69 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' B' ' 80' ' ' VAL . 40.6 mt-10 53.37 -68.52 0.01 OUTLIER 'General case' 0 C--O 1.195 -1.787 0 N-CA-C 118.845 2.906 . . . . 0.0 118.845 164.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -46.35 -48.18 18.47 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -167.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.07 -34.36 77.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.265 1.031 . . . . 0.0 110.103 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' B' ' 80' ' ' VAL . 3.7 t -83.78 -25.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.401 -174.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.647 ' O ' HG12 ' B' ' 56' ' ' VAL . 96.5 t -65.02 -47.94 86.0 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-O 120.693 0.282 . . . . 0.0 111.098 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.88 -35.5 76.95 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.661 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -71.99 -32.07 66.87 Favored 'General case' 0 N--CA 1.41 -2.46 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.647 HG12 ' O ' ' B' ' 53' ' ' VAL . 3.7 p -70.81 -40.69 76.97 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.9 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.534 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 26.6 mmt -64.12 -41.5 97.22 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.41 -54.96 32.61 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.818 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 p -67.54 -41.55 84.11 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 18.2 tp -58.67 -44.99 90.36 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 123.642 0.589 . . . . 0.0 110.786 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.55 -35.75 58.05 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.736 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -60.52 -46.28 90.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.325 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.97 -49.04 66.65 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.78 -113.18 3.62 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 170.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.54 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 9.3 m-20 -92.75 169.44 10.48 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.847 -174.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.34 14.22 7.13 Favored Glycine 0 C--N 1.315 -0.585 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.17 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' B' ' 28' ' ' LYS 0.257 1.3 mp0 54.72 162.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 117.808 2.522 . . . . 0.0 117.808 177.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' B' ' 29' ' ' LYS . 58.0 m -100.79 139.59 36.26 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.275 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.74 163.55 15.68 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 173.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -58.91 -31.1 68.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.256 0.551 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -66.66 -34.14 77.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.902 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.46 ' O ' ' HD1' ' B' ' 76' ' ' PHE . 51.0 mt-10 -72.79 -32.27 65.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.543 ' O ' HG12 ' B' ' 77' ' ' VAL . 1.4 t80 -59.3 -48.17 82.63 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -41.45 77.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -59.17 5.67 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.46 ' HD1' ' O ' ' B' ' 72' ' ' GLU . 89.3 m-85 -61.39 -41.84 97.76 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 73' ' ' PHE . 7.3 p -68.97 -45.99 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.77 70.91 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 119.826 -0.749 . . . . 0.0 111.856 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.537 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 27.0 ptt? -78.87 -25.63 43.92 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.92 . . . . 0.0 112.515 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' B' ' 49' ' ' GLU . 34.2 m -71.44 -35.98 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 C-N-CA 117.882 -1.527 . . . . 0.0 109.062 174.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.0 m -67.8 -49.47 62.16 Favored 'General case' 0 N--CA 1.412 -2.356 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.963 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -92.85 -80.06 0.38 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . 62.18 -84.38 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.972 1.709 . . . . 0.0 114.282 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.7 m -75.84 -22.39 56.3 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.01 -173.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -123.62 121.33 35.29 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.11 136.32 52.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 123.933 0.77 . . . . 0.0 108.949 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' B' ' 91' ' ' GLU . 0.8 OUTLIER -58.59 96.29 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 122.202 1.001 . . . . 0.0 111.392 177.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.97 -79.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.968 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -69.77 -27.72 65.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.182 -177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -168.83 -38.93 0.02 OUTLIER 'General case' 0 C--O 1.199 -1.567 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.53 ' C ' ' HA ' ' B' ' 87' ' ' PHE . 11.8 mp0 . . . . . 0 N--CA 1.418 -2.048 0 N-CA-C 100.356 -3.942 . . . . 0.0 100.356 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.0 tp10 -73.78 -47.69 37.07 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' B' ' 35' ' ' LEU . 3.2 tm? -80.9 -29.92 35.53 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -177.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.53 -52.01 65.14 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.247 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 2' ' ' GLU . 52.8 pttt -68.33 -26.78 65.78 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.155 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -67.52 -53.1 31.47 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.744 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -61.1 -40.14 92.61 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 109.934 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -40.56 89.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 6' ' ' ALA . 3.5 mp -62.89 -46.55 87.32 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.243 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.518 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 24.9 pt -72.29 -23.95 21.85 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.47 -27.99 29.08 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.717 0.294 . . . . 0.0 110.856 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 10' ' ' LEU . 6.0 p -68.77 -26.03 31.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.744 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 15.3 m-85 -65.66 -44.62 85.74 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -59.05 -39.29 81.57 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.105 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -65.57 -23.16 66.78 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -90.65 -172.48 3.41 Favored 'General case' 0 C--O 1.247 0.945 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 p -73.2 167.96 20.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -173.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.552 ' CA ' ' HB2' ' A' ' 23' ' ' ASP . . . 111.44 127.49 5.06 Favored Glycine 0 N--CA 1.414 -2.782 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.451 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -100.04 -34.63 10.0 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.562 0.696 . . . . 0.0 109.272 176.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.74 -82.23 0.48 Allowed 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.7 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.76 -43.1 99.44 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.998 -0.546 . . . . 0.0 114.403 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.6 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 2.5 m-20 -81.99 -14.78 55.5 Favored 'General case' 0 C--O 1.2 -1.549 0 CA-C-N 117.218 0.509 . . . . 0.0 110.268 -173.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -81.81 -21.5 37.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.914 0.864 . . . . 0.0 109.507 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -104.45 -41.65 5.68 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.352 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 26' ' ' LYS . 9.3 mmpt? -118.52 95.05 4.7 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 23' ' ' ASP . 3.3 mm? -58.05 -35.66 71.66 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 -166.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 13.1 mptt 83.87 126.87 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 125.152 1.381 . . . . 0.0 109.103 -166.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' N ' ' HB2' ' A' ' 68' ' ' CYS . 12.3 ptmt -64.56 -18.58 64.98 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.547 -177.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 8.5 m -63.98 -28.53 69.88 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.259 173.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.35 -32.37 64.5 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.4 tm? -60.28 -29.84 69.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.141 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -59.51 -51.77 68.45 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.384 174.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.69 -29.57 68.87 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 121.111 0.481 . . . . 0.0 111.3 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' B' ' 3' ' ' LEU . 3.1 tm? -61.72 -55.62 28.37 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.861 176.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.534 ' HB ' HD12 ' A' ' 40' ' ' LEU . 11.9 pt -64.95 -35.18 74.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -37.39 60.96 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 7.4 t30 -101.27 -45.09 5.46 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.73 -34.98 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -173.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.675 HD11 HG21 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -75.23 -64.87 0.97 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.709 0.766 . . . . 0.0 108.941 -173.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -92.13 37.81 0.99 Allowed 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.412 -173.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 19.8 t-80 -75.78 88.48 2.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.933 0.397 . . . . 0.0 110.515 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 63.81 18.03 10.89 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.797 1.239 . . . . 0.0 112.425 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 tp -143.54 81.03 1.69 Allowed 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.89 -78.96 0.54 Allowed 'General case' 0 C--O 1.186 -2.255 0 CA-C-N 114.446 -1.252 . . . . 0.0 113.079 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -80.06 103.3 9.85 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.491 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.463 ' HB ' ' OE1' ' A' ' 49' ' ' GLU . 73.0 mt -135.74 -64.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.1 177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -158.31 -23.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.449 1.099 . . . . 0.0 113.111 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.75 -33.8 73.47 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 126.947 2.099 . . . . 0.0 113.543 -176.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.47 -35.3 52.35 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.96 -45.64 84.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.61 0.719 . . . . 0.0 109.16 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 80' ' ' VAL . 39.9 t -74.64 -31.79 27.83 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.42 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.504 -177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 57' ' ' MET . 76.5 t -57.81 -43.87 85.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 C-N-CA 123.054 0.541 . . . . 0.0 111.128 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.7 -39.78 94.24 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.519 0.676 . . . . 0.0 110.573 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -67.09 -39.21 86.71 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.846 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.25 -45.78 97.97 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 125.078 1.351 . . . . 0.0 110.466 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 24.1 mmt -61.75 -36.42 80.95 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 120.501 0.191 . . . . 0.0 111.149 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -64.65 -59.5 4.2 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.5 p -61.81 -45.08 95.4 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -50.68 -50.18 55.47 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.864 0.866 . . . . 0.0 110.537 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.19 -42.38 26.18 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.589 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.58 -46.33 88.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.574 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.31 -60.71 2.25 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.187 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.7 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 124.051 0.844 . . . . 0.0 114.773 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 20.9 m-20 -61.24 -31.25 71.04 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.352 0.596 . . . . 0.0 111.721 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 99.2 3.9 56.57 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 26' ' ' LYS . 11.2 pt-20 -148.58 -178.24 6.22 Favored 'General case' 0 N--CA 1.409 -2.508 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 72' ' ' GLU . 6.9 t -157.4 155.71 30.98 Favored 'General case' 0 N--CA 1.415 -2.193 0 N-CA-C 102.86 -3.015 . . . . 0.0 102.86 171.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -140.02 171.81 13.66 Favored 'General case' 0 C--N 1.274 -2.682 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -60.71 -29.27 69.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.521 0.513 . . . . 0.0 110.025 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -63.91 -42.86 97.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.197 176.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' A' ' 68' ' ' CYS . 42.4 mt-10 -71.13 -39.28 72.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.881 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' ' 77' ' ' VAL . 7.3 m-85 -55.17 -46.02 75.78 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 123.48 0.488 . . . . 0.0 109.793 174.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.474 ' SD ' HD22 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -64.1 -51.98 61.4 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.527 0.517 . . . . 0.0 110.801 176.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.76 -59.36 4.97 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -60.49 -45.62 93.1 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.673 HG23 ' HG ' ' A' ' 40' ' ' LEU . 7.2 p -75.06 -35.8 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 C-N-CA 119.915 -0.714 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.74 -28.04 44.87 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.426 -0.91 . . . . 0.0 111.718 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.485 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 24.8 ptm -70.47 -40.02 73.9 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.425 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 40' ' ' LEU . 34.1 m -72.83 -50.61 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.986 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.4 m -85.01 -32.43 22.94 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -111.22 -57.82 2.19 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -171.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 79' ' ' MET . . . -54.4 -48.65 71.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -172.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.1 m -81.95 -13.44 57.48 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -97.1 -24.85 15.56 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.232 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.13 156.21 0.15 Allowed 'General case' 0 C--O 1.244 0.793 0 C-N-CA 125.56 1.544 . . . . 0.0 111.995 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -73.1 -14.06 61.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.57 -42.39 95.69 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.254 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -97.11 -13.36 22.23 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -81.12 -87.79 0.08 Allowed 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.221 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -171.732 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' B' ' 5' ' ' LYS . 3.6 tp10 -76.87 -42.29 40.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 35' ' ' LEU . 3.2 tm? -83.75 -30.64 26.51 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.93 -56.08 18.58 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.945 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' B' ' 2' ' ' GLU . 55.5 pttt -64.68 -29.71 70.71 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.424 -177.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.613 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -65.21 -51.93 57.9 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.451 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -62.04 -39.14 91.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.949 0.404 . . . . 0.0 109.986 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.96 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.104 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -63.45 -43.21 98.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.672 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.613 HD12 ' O ' ' B' ' 6' ' ' ALA . 3.6 mp -62.71 -45.52 92.34 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.473 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.479 ' HA ' ' CD2' ' B' ' 14' ' ' PHE . 24.9 pt -73.33 -23.89 20.09 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -176.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.29 -28.82 28.84 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.564 HG12 ' O ' ' B' ' 10' ' ' LEU . 5.4 p -68.41 -26.99 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.676 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' B' ' 11' ' ' ILE . 16.1 m-85 -64.93 -44.73 88.52 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.61 -40.58 83.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.296 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.55 -15.46 63.67 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 176.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -95.4 -173.81 3.01 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 67.0 p -71.05 163.29 27.88 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.278 0.561 . . . . 0.0 112.469 -174.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.545 ' CA ' ' HB2' ' B' ' 23' ' ' ASP . . . 116.77 128.7 4.19 Favored Glycine 0 N--CA 1.415 -2.735 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.068 178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.405 ' H ' ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -101.92 -35.14 9.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.176 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -131.93 -78.59 0.51 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.624 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.5 -46.06 91.38 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.758 -0.656 . . . . 0.0 114.579 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.565 ' O ' ' HA ' ' B' ' 27' ' ' LEU . 9.2 m-20 -78.1 -17.96 56.29 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-N 117.44 0.62 . . . . 0.0 110.185 -173.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -79.12 -24.34 43.46 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.794 0.807 . . . . 0.0 109.943 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -103.07 -40.76 6.34 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.579 0.704 . . . . 0.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.534 ' HA ' ' HE2' ' B' ' 26' ' ' LYS . 8.8 mmpt? -119.28 94.18 4.34 Favored 'General case' 0 N--CA 1.42 -1.937 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.565 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.5 mm? -57.67 -34.93 69.91 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -167.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.438 ' C ' ' HB2' ' B' ' 68' ' ' CYS . 13.2 mptt 80.77 122.82 0.05 OUTLIER 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.364 1.066 . . . . 0.0 109.278 -168.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HB2' ' B' ' 68' ' ' CYS . 11.7 ptmt -59.35 -18.4 37.96 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.557 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 15.0 m -64.94 -31.58 72.89 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 122.283 -0.261 . . . . 0.0 110.303 173.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.5 -30.9 67.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.244 0.545 . . . . 0.0 109.571 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.487 ' O ' HG12 ' B' ' 36' ' ' ILE . 3.4 tm? -61.22 -30.42 70.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.082 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.557 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.3 OUTLIER -59.93 -50.78 72.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.352 175.1 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.13 -34.88 79.46 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 120.972 0.415 . . . . 0.0 111.152 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' A' ' 3' ' ' LEU . 3.2 tm? -58.03 -55.59 32.94 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.286 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.599 ' HB ' HD12 ' B' ' 40' ' ' LEU . 13.7 pt -66.14 -34.68 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -33.13 54.71 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' B' ' 42' ' ' HIS . 6.9 t30 -104.04 -50.06 3.47 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -176.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.96 -32.9 26.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.752 HD11 HG21 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -74.9 -66.99 0.69 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.053 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -92.66 39.37 1.03 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.137 -172.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' B' ' 38' ' ' ASN . 25.4 t-80 -76.32 90.46 3.19 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 122.183 -0.323 . . . . 0.0 110.365 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 59.84 21.89 10.81 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.577 1.151 . . . . 0.0 111.966 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.32 79.21 1.49 Allowed 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -103.24 -89.33 0.39 Allowed 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.588 -170.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 103.35 1.78 Allowed 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 123.52 0.728 . . . . 0.0 112.957 -171.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -135.57 -78.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -154.78 16.09 0.43 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.379 1.071 . . . . 0.0 109.786 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.479 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -97.11 -35.95 10.64 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.39 -174.1 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -54.19 -35.0 61.88 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.48 -48.97 75.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' B' ' 80' ' ' VAL . 45.3 t -70.05 -34.38 59.23 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.583 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.406 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' B' ' 57' ' ' MET . 77.5 t -57.77 -42.32 81.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.876 0 C-N-CA 123.108 0.563 . . . . 0.0 111.232 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.88 -37.92 79.33 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.265 0.555 . . . . 0.0 110.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.37 -38.6 87.92 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.927 0.87 . . . . 0.0 109.424 176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' B' ' 60' ' ' LEU . 2.8 t -62.63 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.376 0 C-N-CA 124.95 1.3 . . . . 0.0 110.528 172.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' B' ' 53' ' ' VAL . 24.7 mmt -64.18 -28.58 69.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -71.48 -61.16 1.87 Allowed 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.7 p -60.95 -43.1 99.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 16.6 tp -51.35 -49.46 61.38 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.817 0.847 . . . . 0.0 110.78 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -83.53 -38.12 22.14 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.478 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -65.13 -49.49 69.71 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.434 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.35 -61.42 2.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.686 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.73 80.95 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 O-C-N 123.962 0.789 . . . . 0.0 114.827 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.82 -22.24 63.31 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 122.069 -0.665 . . . . 0.0 110.804 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.61 5.32 75.06 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 -173.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.82 -175.12 5.0 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.505 ' HB2' ' N ' ' B' ' 29' ' ' LYS . 7.6 t -157.93 161.29 38.21 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 172.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -146.32 170.77 16.11 Favored 'General case' 0 C--N 1.279 -2.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -60.7 -30.18 69.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.206 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -62.93 -39.58 95.02 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.949 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' B' ' 68' ' ' CYS . 45.5 mt-10 -75.02 -39.74 60.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.531 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.634 ' O ' HG12 ' B' ' 77' ' ' VAL . 7.6 m-85 -54.91 -46.5 74.86 Favored 'General case' 0 CA--C 1.502 -0.875 0 O-C-N 123.488 0.492 . . . . 0.0 109.788 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.443 ' SD ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -63.59 -52.57 60.39 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.466 0.479 . . . . 0.0 110.859 176.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.78 -59.26 5.13 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -59.96 -47.66 84.88 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.646 HG23 ' HG ' ' B' ' 40' ' ' LEU . 7.3 p -73.73 -35.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.848 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.33 -27.86 52.94 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 119.38 -0.928 . . . . 0.0 111.29 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.438 ' HA ' ' HB3' ' B' ' 83' ' ' ALA . 27.5 ptm -74.68 -34.3 62.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.761 -0.775 . . . . 0.0 110.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.752 HG21 HD11 ' B' ' 40' ' ' LEU . 35.9 m -76.68 -46.64 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.7 m -85.81 -36.91 19.77 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -110.29 -55.48 2.46 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -169.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' B' ' 79' ' ' MET . . . -52.48 -59.68 4.15 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.2 m -75.5 -18.58 59.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.023 0.439 . . . . 0.0 111.624 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -87.82 -24.44 23.72 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 70.98 156.06 0.15 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.962 1.705 . . . . 0.0 110.917 175.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -73.4 -14.89 61.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -61.91 -48.51 80.14 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.404 1.082 . . . . 0.0 110.045 175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -88.58 -16.64 32.02 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.882 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.12 -86.79 0.07 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.474 -0.49 . . . . 0.0 109.897 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 103.953 -2.61 . . . . 0.0 103.953 -170.82 . . . . . . . . 0 0 . 1 stop_ save_