data_2rnd_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 2rnd _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 ' 10' ' ' THR . . . . . 0.565 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 91.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.72 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.92 -13.98 16.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.349 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.3 -40.21 73.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.07 -38.56 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.28 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -70.22 -44.99 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.99 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -60.14 -23.78 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -74.75 -43.14 56.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.514 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 15' ' ' ALA . 4.1 m -74.74 -30.66 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -70.72 -28.67 64.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -66.33 -28.82 68.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.874 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 22' ' ' LEU . 11.7 mt -72.65 -31.89 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 38.8 m -63.28 -49.72 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -53.56 -40.3 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.322 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.43 -33.67 58.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.814 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.456 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 11.5 tt0 -62.3 -31.61 72.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.726 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.24 -35.82 68.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.61 -52.07 42.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 19.5 m -62.83 -38.72 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.784 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -55.66 -27.46 50.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.824 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.7 mt-30 -87.13 -26.87 23.41 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -92.4 -41.1 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.616 0.246 . . . . 0.0 111.516 -179.31 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.28 -47.79 66.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.904 0.383 . . . . 0.0 110.505 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.874 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.942 0.401 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.26 -22.32 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -9.62 32.87 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.16 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.62 -42.63 83.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.4 pt -56.86 -39.41 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.075 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -70.36 -42.02 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -61.99 -23.71 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -74.89 -43.98 51.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 15' ' ' ALA . 3.2 m -75.52 -29.26 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -68.39 -31.02 70.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 2.0 tmtm? -64.75 -37.05 86.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.995 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 1.3 ptmm? -71.52 -17.29 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.112 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 22' ' ' LEU . 31.1 mt -86.8 -38.96 16.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.266 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.52 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 24.4 m -51.03 -44.94 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -52.82 -39.81 62.75 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.255 0.55 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.05 -33.91 57.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 13.4 tt0 -64.21 -29.74 70.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.83 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.661 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' HZ1' ' A' ' 28' ' ' LYS . 4.6 mmmp? -59.51 -48.23 82.44 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 30' ' ' LEU . 30.9 m -71.95 -42.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.99 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' N ' HG23 ' A' ' 29' ' ' VAL . 10.8 mt -54.13 -28.28 38.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -86.3 -24.65 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -10.01 20.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.696 0.284 . . . . 0.0 111.753 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -33.22 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.452 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.901 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 27.5 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.35 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.21 -22.57 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.63 -10.52 30.8 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.0 tmtt? -56.98 -40.85 77.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.7 pt -59.19 -38.1 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.069 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.2 -44.78 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -61.95 -21.88 65.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -74.31 -46.46 40.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -71.37 -29.14 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.167 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.59 -29.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HZ3' ' HZ3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -64.36 -36.98 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' HZ3' ' HZ3' ' A' ' 20' ' ' LYS . 53.7 mttp -71.32 -17.85 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.007 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 mt -89.88 -36.75 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 26.9 m -50.29 -44.94 54.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -52.98 -39.2 62.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.13 0.49 . . . . 0.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.41 57.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.009 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.49 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 26.2 mt-30 -64.01 -29.12 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.089 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 3.0 tt0 -61.89 -40.09 94.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 13.6 mptt -63.42 -55.75 21.77 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.724 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 30' ' ' LEU . 28.0 m -61.39 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.228 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 ' N ' HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -55.88 -27.9 54.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 69.5 mt-30 -87.5 -24.25 24.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -18.1 18.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.695 0.283 . . . . 0.0 111.668 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -36.72 9.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.033 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 60.0 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.889 0.376 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.27 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.24 -10.24 32.18 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.195 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtt? -57.22 -42.08 80.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.9 pt -58.08 -38.83 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.191 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -68.89 -46.73 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.784 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -62.31 -20.97 64.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.15 -44.25 54.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.112 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 15' ' ' ALA . 2.1 m -76.3 -28.87 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -70.26 -34.53 72.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.821 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -59.45 -36.22 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.082 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -71.63 -20.72 61.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.275 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 mt -85.13 -22.04 29.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.632 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -68.37 -43.67 76.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.211 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -59.83 -37.15 78.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.363 0.601 . . . . 0.0 109.444 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.14 -33.64 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.166 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -56.91 -36.67 70.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.463 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.03 -46.84 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.665 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.2 m -67.78 -43.81 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.861 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.9 mm? -58.64 -27.33 64.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.833 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -24.53 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 -16.22 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.76 -34.6 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.962 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.027 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.729 0.3 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.55 62.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.97 -6.63 39.65 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.81 -42.39 84.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 15' ' ' ALA . 5.9 pt -57.3 -39.51 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.474 177.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -70.29 -37.76 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.712 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -63.89 -23.96 67.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 5.4 m-20 -74.73 -44.7 48.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.343 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -76.0 -27.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -66.93 -35.66 80.5 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -58.92 -34.96 72.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.926 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -69.97 -22.57 63.14 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.687 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.54 -27.85 17.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.759 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.551 ' HA ' HE21 ' A' ' 26' ' ' GLN . 50.3 m -46.7 -46.38 20.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.378 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.71 -39.99 62.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 110.117 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -34.43 57.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.551 HE21 ' HA ' ' A' ' 23' ' ' THR . 14.1 mt-30 -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.6 tt0 -67.88 -35.56 78.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.598 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 5.1 mmmp? -65.7 -57.17 8.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.825 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 m -59.76 -39.27 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.428 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.45 -27.79 11.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 27.6 mt-30 -77.22 -29.33 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.989 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.408 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -100.95 -14.43 17.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.91 -41.39 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.911 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 26.8 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.834 0.35 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.43 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.67 -12.46 24.52 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.297 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -56.72 -40.93 76.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.0 pt -59.01 -38.93 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.249 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -70.19 -43.35 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.34 -22.3 65.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.46 -44.04 53.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' A' ' 19' ' ' GLN . 2.9 tt0 -70.46 -32.76 70.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -59.54 -35.0 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.17 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -70.87 -22.16 62.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.318 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 22' ' ' LEU . 30.7 mt -87.55 -24.87 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.611 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -62.65 -46.83 86.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.919 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -53.39 -40.7 65.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.267 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -34.21 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.08 -30.14 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.056 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.13 -35.64 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.094 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -57.78 -47.89 81.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 30' ' ' LEU . 28.7 m -69.99 -43.99 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' N ' HG22 ' A' ' 29' ' ' VAL . 2.7 mm? -56.32 -27.8 56.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -82.82 -24.41 33.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -103.29 -12.61 17.15 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -34.43 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.914 -179.834 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.573 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 61.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.791 0.329 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.43 -21.04 66.21 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.153 0.501 . . . . 0.0 110.16 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.32 -13.56 18.87 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -56.15 -41.41 75.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.658 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.443 HG13 ' H ' ' A' ' 15' ' ' ALA . 5.3 pt -56.55 -41.23 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.066 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.53 -41.3 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -65.34 -21.5 66.71 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 3.0 t-20 -74.56 -46.89 35.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.095 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.0 m -71.23 -29.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.23 -30.15 71.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.03 -33.4 75.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.729 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.573 ' HZ3' ' HB2' ' A' ' 21' ' ' LYS . 10.5 mtmp? -70.95 -19.52 62.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.015 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.244 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 m -64.7 -44.8 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -52.59 -39.97 62.14 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 109.784 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.62 57.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.676 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.43 -29.68 69.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.836 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.4 tt0 -74.59 -36.44 63.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -56.64 -54.32 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.284 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.28 -40.27 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.87 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.94 -27.9 63.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.442 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 29.4 mt-30 -85.58 -24.56 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.55 -20.92 18.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.62 -41.86 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.07 0.462 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.837 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.437 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 37.3 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.849 0.356 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.09 62.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.9 -9.91 33.65 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -57.25 -42.31 81.25 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.3 pt -56.57 -39.46 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.924 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -69.9 -41.91 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -62.72 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -74.53 -46.46 39.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -72.82 -29.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -65.97 -33.15 75.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.579 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -60.25 -33.67 72.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.782 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.38 -23.71 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.427 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.37 -27.53 20.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.496 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 32.6 m -53.72 -46.19 70.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.415 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -52.96 -40.05 63.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.66 57.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.883 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.496 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 15.5 tt0 -67.66 -29.32 68.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -68.45 -41.67 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.311 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.44 -50.93 72.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.64 -42.48 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mp -54.9 -29.0 54.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 25.7 mm-40 -70.01 -28.44 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.594 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.604 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -106.86 -7.51 17.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.325 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -34.26 15.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.96 0.41 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.959 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.576 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 32.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -21.58 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 -16.52 9.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.302 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtp? -56.13 -39.36 72.12 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.32 -38.51 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.926 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -70.45 -43.71 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.63 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -60.16 -23.48 63.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -74.88 -46.69 34.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.216 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 15' ' ' ALA . 3.5 m -70.88 -29.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.049 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.3 -29.21 70.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.342 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -36.88 85.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -71.42 -15.08 62.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.15 -39.3 33.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.424 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.595 ' HA ' HE21 ' A' ' 26' ' ' GLN . 27.0 m -59.75 -47.03 87.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -52.72 -39.98 62.59 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.313 0.578 . . . . 0.0 110.093 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.59 -33.93 58.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.869 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 23' ' ' THR . 4.6 tt0 -63.89 -29.08 70.29 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.67 -35.8 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -61.54 -55.24 33.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 30' ' ' LEU . 27.2 m -59.61 -41.15 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.02 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' N ' HG21 ' A' ' 29' ' ' VAL . 21.9 mt -64.97 -33.72 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.272 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -80.4 -24.53 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -25.24 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.0 111.486 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -38.25 12.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.509 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.0 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.2 m . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -15.74 62.65 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.82 -9.87 27.63 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.143 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -55.63 -41.14 73.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.0 pt -60.09 -37.41 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.002 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -70.26 -42.18 72.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 t -64.99 -20.69 66.62 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -73.94 -46.78 42.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.132 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 15' ' ' ALA . 2.2 m -73.08 -29.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.254 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.76 -34.41 71.8 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.717 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 6.3 tmtt? -60.51 -35.97 77.23 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 29.5 mtpp -70.61 -20.78 62.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.844 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.5 mt -90.34 -31.1 17.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.84 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.514 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 29.4 m -47.87 -44.59 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.118 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -52.71 -40.28 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.331 0.586 . . . . 0.0 109.896 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.44 58.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.869 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.514 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 48.2 mt-30 -64.21 -28.96 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -35.45 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.45 -55.12 17.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.217 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.05 -39.69 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.52 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -52.56 -29.24 24.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.267 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -74.2 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.782 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -4.47 24.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.546 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.0 -33.07 11.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.094 0.473 . . . . 0.0 110.318 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.879 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.794 0.331 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 121.3 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.45 59.16 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.0 ttt -115.94 -18.51 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.95 -37.72 86.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m 57.83 95.21 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -119.83 16.47 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.11 5.33 2.17 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.73 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.79 -40.69 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.565 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 91.4 m -77.91 -39.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.72 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.92 -13.98 16.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.349 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.3 -40.21 73.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.07 -38.56 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.28 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -70.22 -44.99 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.99 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -60.14 -23.78 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -74.75 -43.14 56.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.514 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 15' ' ' ALA . 4.1 m -74.74 -30.66 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -70.72 -28.67 64.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -66.33 -28.82 68.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.874 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 22' ' ' LEU . 11.7 mt -72.65 -31.89 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 38.8 m -63.28 -49.72 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -53.56 -40.3 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.322 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.43 -33.67 58.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.814 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 11.5 tt0 -62.3 -31.61 72.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.726 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.24 -35.82 68.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.61 -52.07 42.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 19.5 m -62.83 -38.72 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.784 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -55.66 -27.46 50.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.824 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.7 mt-30 -87.13 -26.87 23.41 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -92.4 -41.1 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.616 0.246 . . . . 0.0 111.516 -179.31 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.28 -47.79 66.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.904 0.383 . . . . 0.0 110.505 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.874 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.1 46.54 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.23 74.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.77 151.55 29.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.39 -71.89 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -77.08 83.42 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.664 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -105.7 22.9 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.014 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.85 29.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.758 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.14 -35.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.9 m -103.09 -43.96 5.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.954 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.26 -22.32 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -9.62 32.87 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.16 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.62 -42.63 83.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.4 pt -56.86 -39.41 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.075 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -70.36 -42.02 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -61.99 -23.71 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -74.89 -43.98 51.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 15' ' ' ALA . 3.2 m -75.52 -29.26 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -68.39 -31.02 70.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 2.0 tmtm? -64.75 -37.05 86.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.995 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 1.3 ptmm? -71.52 -17.29 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.112 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 22' ' ' LEU . 31.1 mt -86.8 -38.96 16.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.266 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.52 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 24.4 m -51.03 -44.94 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -52.82 -39.81 62.75 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.255 0.55 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.05 -33.91 57.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 13.4 tt0 -64.21 -29.74 70.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.83 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.661 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' HZ1' ' A' ' 28' ' ' LYS . 4.6 mmmp? -59.51 -48.23 82.44 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 30' ' ' LEU . 30.9 m -71.95 -42.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.99 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' N ' HG23 ' A' ' 29' ' ' VAL . 10.8 mt -54.13 -28.28 38.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -86.3 -24.65 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -10.01 20.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.696 0.284 . . . . 0.0 111.753 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -33.22 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.452 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.901 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.62 0.26 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.254 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -102.32 138.38 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.0 tpt -98.31 102.87 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.87 -104.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.325 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -101.54 83.65 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.693 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.661 ' HZ2' ' HB3' ' A' ' 7' ' ' LYS . 8.5 mtpm? -82.5 85.14 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.45 39.67 93.27 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.456 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.67 -33.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.64 0.257 . . . . 0.0 111.175 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 27.5 m -102.81 -42.36 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.21 -22.57 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.63 -10.52 30.8 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.0 tmtt? -56.98 -40.85 77.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.7 pt -59.19 -38.1 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.069 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.2 -44.78 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -61.95 -21.88 65.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -74.31 -46.46 40.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -71.37 -29.14 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.167 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.59 -29.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HZ3' ' HZ3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -64.36 -36.98 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' HZ3' ' HZ3' ' A' ' 20' ' ' LYS . 53.7 mttp -71.32 -17.85 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.007 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 mt -89.88 -36.75 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 26.9 m -50.29 -44.94 54.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -52.98 -39.2 62.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.13 0.49 . . . . 0.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.41 57.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.009 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.49 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 26.2 mt-30 -64.01 -29.12 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.089 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 3.0 tt0 -61.89 -40.09 94.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 13.6 mptt -63.42 -55.75 21.77 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.724 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 30' ' ' LEU . 28.0 m -61.39 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.228 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' N ' HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -55.88 -27.9 54.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 69.5 mt-30 -87.5 -24.25 24.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -18.1 18.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.695 0.283 . . . . 0.0 111.668 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -36.72 9.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.033 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 ttm . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.81 7.32 7.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.0 106.25 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.04 -0.9 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.47 -28.96 5.15 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.704 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -60.66 -48.55 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.65 79.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.408 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.26 -48.92 0.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.538 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -77.22 -29.55 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.748 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 60.0 m -103.33 -43.0 5.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.27 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.24 -10.24 32.18 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.195 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtt? -57.22 -42.08 80.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.9 pt -58.08 -38.83 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.191 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -68.89 -46.73 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.784 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -62.31 -20.97 64.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.15 -44.25 54.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.112 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 15' ' ' ALA . 2.1 m -76.3 -28.87 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -70.26 -34.53 72.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.821 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -59.45 -36.22 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.082 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -71.63 -20.72 61.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.275 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 mt -85.13 -22.04 29.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.632 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -68.37 -43.67 76.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.211 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -59.83 -37.15 78.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.363 0.601 . . . . 0.0 109.444 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.14 -33.64 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.166 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -56.91 -36.67 70.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.463 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.03 -46.84 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.665 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.2 m -67.78 -43.81 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.861 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.9 mm? -58.64 -27.33 64.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.833 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -24.53 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 -16.22 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.76 -34.6 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.962 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.027 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.45 89.61 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -115.55 121.88 43.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -109.74 37.51 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.91 -38.56 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -87.79 84.05 7.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -89.54 81.53 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.715 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.07 47.35 38.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.054 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -54.48 -36.92 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.9 m -70.04 -44.25 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 111.697 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.55 62.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.97 -6.63 39.65 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.5 tmtp? -57.81 -42.39 84.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 15' ' ' ALA . 5.9 pt -57.3 -39.51 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.474 177.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -70.29 -37.76 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.712 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -63.89 -23.96 67.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 5.4 m-20 -74.73 -44.7 48.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.343 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -76.0 -27.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -66.93 -35.66 80.5 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -58.92 -34.96 72.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.926 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -69.97 -22.57 63.14 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.687 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.54 -27.85 17.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.759 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.551 ' HA ' HE21 ' A' ' 26' ' ' GLN . 50.3 m -46.7 -46.38 20.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.378 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.71 -39.99 62.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 110.117 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -34.43 57.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.551 HE21 ' HA ' ' A' ' 23' ' ' THR . 14.1 mt-30 -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.6 tt0 -67.88 -35.56 78.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.598 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 5.1 mmmp? -65.7 -57.17 8.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.825 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 m -59.76 -39.27 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.428 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.45 -27.79 11.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 27.6 mt-30 -77.22 -29.33 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.989 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -100.95 -14.43 17.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.91 -41.39 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.911 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.709 0.29 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.76 144.16 35.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -95.66 14.8 21.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.64 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.46 -64.99 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.106 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 53.92 87.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.758 0.314 . . . . 0.0 111.171 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 18.71 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.99 -22.26 30.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 10' ' ' THR . 1.7 p -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.305 0.574 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 26.8 m -102.89 -42.27 5.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.43 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.67 -12.46 24.52 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.297 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -56.72 -40.93 76.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.0 pt -59.01 -38.93 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.249 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -70.19 -43.35 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.34 -22.3 65.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.46 -44.04 53.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' A' ' 19' ' ' GLN . 2.9 tt0 -70.46 -32.76 70.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -59.54 -35.0 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.17 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -70.87 -22.16 62.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.318 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 22' ' ' LEU . 30.7 mt -87.55 -24.87 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.611 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -62.65 -46.83 86.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.919 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -53.39 -40.7 65.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.267 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -34.21 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.08 -30.14 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.056 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.13 -35.64 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.094 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -57.78 -47.89 81.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 30' ' ' LEU . 28.7 m -69.99 -43.99 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' N ' HG22 ' A' ' 29' ' ' VAL . 2.7 mm? -56.32 -27.8 56.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -82.82 -24.41 33.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -103.29 -12.61 17.15 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -34.43 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.914 -179.834 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.92 30.57 16.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.33 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.42 102.85 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.8 tpt -101.64 -65.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.56 -75.59 0.28 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m 55.48 34.73 23.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 mttm 54.84 24.31 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 32.69 59.88 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.686 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.61 -43.01 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.573 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 61.8 m -82.07 -37.74 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.963 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.43 -21.04 66.21 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.153 0.501 . . . . 0.0 110.16 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.32 -13.56 18.87 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -56.15 -41.41 75.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.658 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.443 HG13 ' H ' ' A' ' 15' ' ' ALA . 5.3 pt -56.55 -41.23 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.066 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.53 -41.3 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -65.34 -21.5 66.71 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 3.0 t-20 -74.56 -46.89 35.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.095 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.0 m -71.23 -29.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.23 -30.15 71.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.03 -33.4 75.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.729 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.573 ' HZ3' ' HB2' ' A' ' 21' ' ' LYS . 10.5 mtmp? -70.95 -19.52 62.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.015 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.244 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 m -64.7 -44.8 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -52.59 -39.97 62.14 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 109.784 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.62 57.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.676 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.43 -29.68 69.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.836 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.4 tt0 -74.59 -36.44 63.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -56.64 -54.32 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.284 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.28 -40.27 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.87 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.94 -27.9 63.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.442 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 29.4 mt-30 -85.58 -24.56 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.55 -20.92 18.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.62 -41.86 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.07 0.462 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.837 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.61 164.93 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.009 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -137.36 87.71 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ttt -95.71 161.32 14.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.07 -88.97 0.01 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.733 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -168.06 94.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.99 5.67 22.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.571 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 35.1 0.21 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.228 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 10' ' ' THR . 1.5 p -73.96 -38.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.437 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 37.3 m -101.94 -39.75 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.09 62.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.9 -9.91 33.65 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -57.25 -42.31 81.25 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.3 pt -56.57 -39.46 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.924 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -69.9 -41.91 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -62.72 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -74.53 -46.46 39.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -72.82 -29.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -65.97 -33.15 75.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.579 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -60.25 -33.67 72.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.782 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.38 -23.71 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.427 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.37 -27.53 20.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.496 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 32.6 m -53.72 -46.19 70.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.415 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -52.96 -40.05 63.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.66 57.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.883 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.496 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 15.5 tt0 -67.66 -29.32 68.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -68.45 -41.67 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.311 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.44 -50.93 72.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.64 -42.48 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mp -54.9 -29.0 54.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 25.7 mm-40 -70.01 -28.44 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.594 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.604 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -106.86 -7.51 17.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.325 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -34.26 15.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.96 0.41 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.959 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.789 0.328 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.86 41.48 27.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -119.12 86.17 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 mmt 42.06 80.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.708 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.63 16.81 2.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.429 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . 50.1 m -115.46 -13.66 11.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt 39.43 31.81 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.759 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.79 27.26 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.729 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 6' ' ' SER . 1.4 p -50.79 -41.96 22.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 121.211 0.529 . . . . 0.0 110.626 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.576 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 32.7 m -74.07 -35.89 64.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.897 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -21.58 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 -16.52 9.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.302 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtp? -56.13 -39.36 72.12 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.32 -38.51 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.926 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -70.45 -43.71 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.63 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -60.16 -23.48 63.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -74.88 -46.69 34.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.216 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 15' ' ' ALA . 3.5 m -70.88 -29.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.049 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.3 -29.21 70.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.342 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -36.88 85.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -71.42 -15.08 62.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.15 -39.3 33.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.424 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.595 ' HA ' HE21 ' A' ' 26' ' ' GLN . 27.0 m -59.75 -47.03 87.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -52.72 -39.98 62.59 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.313 0.578 . . . . 0.0 110.093 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.59 -33.93 58.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.869 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 23' ' ' THR . 4.6 tt0 -63.89 -29.08 70.29 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.67 -35.8 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -61.54 -55.24 33.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 30' ' ' LEU . 27.2 m -59.61 -41.15 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.02 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' N ' HG21 ' A' ' 29' ' ' VAL . 21.9 mt -64.97 -33.72 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.272 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -80.4 -24.53 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -25.24 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.0 111.486 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -38.25 12.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.509 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.0 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.67 -168.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.72 -166.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.01 -75.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m 54.06 21.49 2.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.717 0.294 . . . . 0.0 111.332 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HB2' ' HZ1' ' A' ' 7' ' ' LYS . 0.2 OUTLIER 40.17 37.57 0.42 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.341 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.02 43.85 41.05 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.556 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 2.2 m -59.66 -41.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.56 0.219 . . . . 0.0 111.316 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.2 m -104.19 -59.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -15.74 62.65 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.82 -9.87 27.63 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.143 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 2.3 tmtt? -55.63 -41.14 73.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.0 pt -60.09 -37.41 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.002 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -70.26 -42.18 72.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 t -64.99 -20.69 66.62 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -73.94 -46.78 42.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.132 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 15' ' ' ALA . 2.2 m -73.08 -29.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.254 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.76 -34.41 71.8 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.717 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 6.3 tmtt? -60.51 -35.97 77.23 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 29.5 mtpp -70.61 -20.78 62.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.844 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.5 mt -90.34 -31.1 17.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.84 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.514 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 29.4 m -47.87 -44.59 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.118 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -52.71 -40.28 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.331 0.586 . . . . 0.0 109.896 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.44 58.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.869 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.514 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 48.2 mt-30 -64.21 -28.96 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -35.45 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.45 -55.12 17.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.217 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.05 -39.69 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.52 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -52.56 -29.24 24.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.267 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -74.2 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.782 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -4.47 24.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.546 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.0 -33.07 11.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.094 0.473 . . . . 0.0 110.318 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.879 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 91.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.72 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.92 -13.98 16.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.349 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.3 -40.21 73.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.07 -38.56 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.28 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.22 -44.99 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.99 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -60.14 -23.78 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 92.1 m-20 -74.75 -43.14 56.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.514 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 15' ' ' ALA . 4.1 m -74.74 -30.66 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -70.72 -28.67 64.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -66.33 -28.82 68.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.874 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 22' ' ' LEU . 11.7 mt -72.65 -31.89 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.47 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 38.8 m -63.28 -49.72 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -53.56 -40.3 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.322 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.43 -33.67 58.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.814 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 11.5 tt0 -62.3 -31.61 72.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.726 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.24 -35.82 68.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.61 -52.07 42.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 19.5 m -62.83 -38.72 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.784 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.46 50.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.7 mt-30 -87.13 -26.87 23.41 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -92.4 -41.1 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.616 0.246 . . . . 0.0 111.516 -179.31 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.28 -47.79 66.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.904 0.383 . . . . 0.0 110.505 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.874 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 65.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.942 0.401 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.26 -22.32 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -9.62 32.87 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.16 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -57.62 -42.63 83.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.4 pt -56.86 -39.41 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.075 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.479 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.36 -42.02 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -61.99 -23.71 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -74.89 -43.98 51.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.2 m -75.52 -29.26 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -68.39 -31.02 70.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 2.0 tmtm? -64.75 -37.05 86.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.995 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 1.3 ptmm? -71.52 -17.29 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.112 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -86.8 -38.96 16.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.266 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 24.4 m -51.03 -44.94 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -52.82 -39.81 62.75 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.255 0.55 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.05 -33.91 57.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 13.4 tt0 -64.21 -29.74 70.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.83 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.661 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 4.6 mmmp? -59.51 -48.23 82.44 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 30' ' ' LEU . 30.9 m -71.95 -42.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.99 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 29' ' ' VAL . 10.8 mt -54.13 -28.28 38.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -86.3 -24.65 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -10.01 20.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.696 0.284 . . . . 0.0 111.753 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -33.22 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.452 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.901 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.449 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 27.5 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.35 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.21 -22.57 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.63 -10.52 30.8 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.0 tmtt? -56.98 -40.85 77.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.7 pt -59.19 -38.1 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.069 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.2 -44.78 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -61.95 -21.88 65.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -74.31 -46.46 40.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -71.37 -29.14 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.167 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -67.59 -29.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -36.98 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -71.32 -17.85 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.007 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 mt -89.88 -36.75 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 26.9 m -50.29 -44.94 54.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -52.98 -39.2 62.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.13 0.49 . . . . 0.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.41 57.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.009 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 26.2 mt-30 -64.01 -29.12 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.089 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 3.0 tt0 -61.89 -40.09 94.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 13.6 mptt -63.42 -55.75 21.77 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.724 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.41 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 28.0 m -61.39 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.228 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -27.9 54.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 69.5 mt-30 -87.5 -24.25 24.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -98.81 -18.1 18.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.695 0.283 . . . . 0.0 111.668 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -36.72 9.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.033 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.461 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 60.0 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.889 0.376 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.27 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.24 -10.24 32.18 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.195 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtt? -57.22 -42.08 80.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.9 pt -58.08 -38.83 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.191 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -68.89 -46.73 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.784 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -62.31 -20.97 64.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.15 -44.25 54.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.112 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.1 m -76.3 -28.87 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -70.26 -34.53 72.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.821 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -59.45 -36.22 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.082 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -71.63 -20.72 61.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.275 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 mt -85.13 -22.04 29.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.632 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -68.37 -43.67 76.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.211 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -59.83 -37.15 78.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.363 0.601 . . . . 0.0 109.444 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.14 -33.64 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.166 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' O ' HD23 ' A' ' 30' ' ' LEU . 34.6 tt0 -56.91 -36.67 70.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.463 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.03 -46.84 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.665 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.2 m -67.78 -43.81 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.861 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.9 mm? -58.64 -27.33 64.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.833 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -79.07 -24.53 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.82 -16.22 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.385 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -86.76 -34.6 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.962 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.027 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 56.9 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.729 0.3 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.55 62.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.97 -6.63 39.65 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 1.5 tmtp? -57.81 -42.39 84.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 15' ' ' ALA . 5.9 pt -57.3 -39.51 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.474 177.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -70.29 -37.76 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.712 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -63.89 -23.96 67.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 5.4 m-20 -74.73 -44.7 48.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.343 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -76.0 -27.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -66.93 -35.66 80.5 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -58.92 -34.96 72.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.926 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -69.97 -22.57 63.14 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.687 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.54 -27.85 17.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.759 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.472 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 50.3 m -46.7 -46.38 20.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.378 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.71 -39.99 62.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 110.117 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -34.43 57.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.472 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 53.6 mt-30 -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.6 tt0 -67.88 -35.56 78.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 5.1 mmmp? -65.7 -57.17 8.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.825 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 m -59.76 -39.27 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.428 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.45 -27.79 11.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 27.6 mt-30 -77.22 -29.33 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.989 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -14.43 17.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.91 -41.39 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.911 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.558 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 26.8 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.834 0.35 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.43 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.67 -12.46 24.52 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.297 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -56.72 -40.93 76.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.01 -38.93 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.249 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.19 -43.35 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.34 -22.3 65.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.46 -44.04 53.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -70.46 -32.76 70.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -59.54 -35.0 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.17 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -70.87 -22.16 62.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.318 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.55 -24.87 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.611 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -62.65 -46.83 86.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.919 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -53.39 -40.7 65.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.267 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -34.21 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -63.08 -30.14 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.056 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.13 -35.64 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.094 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -57.78 -47.89 81.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.7 m -69.99 -43.99 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.7 mm? -56.32 -27.8 56.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -82.82 -24.41 33.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -103.29 -12.61 17.15 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -34.43 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.914 -179.834 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 61.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.791 0.329 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.43 -21.04 66.21 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.153 0.501 . . . . 0.0 110.16 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.32 -13.56 18.87 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -56.15 -41.41 75.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.658 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 15' ' ' ALA . 5.3 pt -56.55 -41.23 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.066 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.53 -41.3 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -65.34 -21.5 66.71 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 28.6 t30 -74.56 -46.89 35.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.095 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.0 m -71.23 -29.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.23 -30.15 71.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.03 -33.4 75.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.729 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 18' ' ' VAL . 10.5 mtmp? -70.95 -19.52 62.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.015 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.244 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 m -64.7 -44.8 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -52.59 -39.97 62.14 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 109.784 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.62 57.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.676 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.43 -29.68 69.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.836 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.4 tt0 -74.59 -36.44 63.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -56.64 -54.32 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.284 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.28 -40.27 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.87 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.94 -27.9 63.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.442 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 29.4 mt-30 -85.58 -24.56 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -96.55 -20.92 18.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.62 -41.86 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.07 0.462 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.837 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 37.3 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.849 0.356 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.09 62.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.9 -9.91 33.65 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -57.25 -42.31 81.25 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.3 pt -56.57 -39.46 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.924 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -69.9 -41.91 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -62.72 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -74.53 -46.46 39.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -72.82 -29.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -65.97 -33.15 75.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.579 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 1.6 tmtm? -60.25 -33.67 72.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.782 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 68.3 mmtt -71.38 -23.71 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.427 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.37 -27.53 20.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.52 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 32.6 m -53.72 -46.19 70.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.415 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 14.2 tpt180 -52.96 -40.05 63.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.66 57.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.883 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 15.5 tt0 -67.66 -29.32 68.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -68.45 -41.67 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.311 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.44 -50.93 72.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.64 -42.48 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mp -54.9 -29.0 54.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 25.7 mm-40 -70.01 -28.44 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.594 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -106.86 -7.51 17.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.325 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -34.26 15.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.96 0.41 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.959 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.613 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 32.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -21.58 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 -16.52 9.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.302 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtp? -56.13 -39.36 72.12 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.32 -38.51 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.926 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.45 -43.71 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.63 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -60.16 -23.48 63.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -74.88 -46.69 34.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.216 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.5 m -70.88 -29.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.049 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.3 -29.21 70.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.342 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -36.88 85.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -71.42 -15.08 62.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.15 -39.3 33.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.424 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.527 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 27.0 m -59.75 -47.03 87.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -52.72 -39.98 62.59 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.313 0.578 . . . . 0.0 110.093 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.59 -33.93 58.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.869 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 30.4 tt0 -63.89 -29.08 70.29 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.67 -35.8 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -61.54 -55.24 33.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 30' ' ' LEU . 27.2 m -59.61 -41.15 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.02 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 29' ' ' VAL . 21.9 mt -64.97 -33.72 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.272 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -80.4 -24.53 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -92.69 -25.24 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.0 111.486 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -92.13 -38.25 12.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.509 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.0 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.2 m . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -15.74 62.65 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.82 -9.87 27.63 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.143 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -55.63 -41.14 73.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.0 pt -60.09 -37.41 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.002 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.26 -42.18 72.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 t -64.99 -20.69 66.62 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -73.94 -46.78 42.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.132 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.2 m -73.08 -29.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.254 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.76 -34.41 71.8 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.717 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 6.3 tmtt? -60.51 -35.97 77.23 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 29.5 mtpp -70.61 -20.78 62.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.844 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.5 mt -90.34 -31.1 17.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.84 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.511 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 29.4 m -47.87 -44.59 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.118 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -52.71 -40.28 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.331 0.586 . . . . 0.0 109.896 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.44 58.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.869 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.511 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 48.2 mt-30 -64.21 -28.96 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -35.45 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.45 -55.12 17.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.217 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.05 -39.69 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.52 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -52.56 -29.24 24.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.267 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -74.2 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.782 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -4.47 24.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.546 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.0 -33.07 11.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.094 0.473 . . . . 0.0 110.318 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.879 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.794 0.331 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 121.3 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.45 59.16 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.0 ttt -115.94 -18.51 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.95 -37.72 86.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m 57.83 95.21 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -119.83 16.47 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.11 5.33 2.17 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.73 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.79 -40.69 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 91.4 m -77.91 -39.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.72 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.92 -13.98 16.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.349 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.3 -40.21 73.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.07 -38.56 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.28 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.22 -44.99 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.99 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -60.14 -23.78 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 92.1 m-20 -74.75 -43.14 56.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.514 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 15' ' ' ALA . 4.1 m -74.74 -30.66 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -70.72 -28.67 64.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -66.33 -28.82 68.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.874 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 22' ' ' LEU . 11.7 mt -72.65 -31.89 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.47 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 38.8 m -63.28 -49.72 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -53.56 -40.3 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.322 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.43 -33.67 58.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.814 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 11.5 tt0 -62.3 -31.61 72.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.726 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.24 -35.82 68.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.61 -52.07 42.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 19.5 m -62.83 -38.72 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.784 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.46 50.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.7 mt-30 -87.13 -26.87 23.41 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -92.4 -41.1 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.616 0.246 . . . . 0.0 111.516 -179.31 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.28 -47.79 66.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.904 0.383 . . . . 0.0 110.505 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.874 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.1 46.54 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.23 74.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.77 151.55 29.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.39 -71.89 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -77.08 83.42 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.664 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -105.7 22.9 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.014 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.85 29.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.758 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.14 -35.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 65.9 m -103.09 -43.96 5.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.26 -22.32 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -9.62 32.87 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.16 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -57.62 -42.63 83.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.4 pt -56.86 -39.41 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.075 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.36 -42.02 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -61.99 -23.71 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -74.89 -43.98 51.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.2 m -75.52 -29.26 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -68.39 -31.02 70.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 2.0 tmtm? -64.75 -37.05 86.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.995 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 1.3 ptmm? -71.52 -17.29 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.112 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -86.8 -38.96 16.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.266 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 24.4 m -51.03 -44.94 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -52.82 -39.81 62.75 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.255 0.55 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.05 -33.91 57.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 13.4 tt0 -64.21 -29.74 70.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.83 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.661 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 4.6 mmmp? -59.51 -48.23 82.44 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 30' ' ' LEU . 30.9 m -71.95 -42.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.99 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 29' ' ' VAL . 10.8 mt -54.13 -28.28 38.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -86.3 -24.65 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -10.01 20.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.696 0.284 . . . . 0.0 111.753 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -33.22 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.452 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.901 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.62 0.26 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.254 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -102.32 138.38 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.0 tpt -98.31 102.87 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.87 -104.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.325 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -101.54 83.65 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.693 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 8.5 mtpm? -82.5 85.14 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.45 39.67 93.27 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.456 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.67 -33.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.64 0.257 . . . . 0.0 111.175 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.449 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 27.5 m -102.81 -42.36 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.21 -22.57 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.63 -10.52 30.8 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.0 tmtt? -56.98 -40.85 77.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.7 pt -59.19 -38.1 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.069 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.2 -44.78 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -61.95 -21.88 65.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -74.31 -46.46 40.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -71.37 -29.14 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.167 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -67.59 -29.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -36.98 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -71.32 -17.85 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.007 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 mt -89.88 -36.75 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 26.9 m -50.29 -44.94 54.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -52.98 -39.2 62.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.13 0.49 . . . . 0.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.41 57.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.009 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 26.2 mt-30 -64.01 -29.12 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.089 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 3.0 tt0 -61.89 -40.09 94.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 13.6 mptt -63.42 -55.75 21.77 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.724 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.41 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 28.0 m -61.39 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.228 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -27.9 54.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 69.5 mt-30 -87.5 -24.25 24.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -98.81 -18.1 18.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.695 0.283 . . . . 0.0 111.668 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -36.72 9.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.033 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 ttm . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.81 7.32 7.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.0 106.25 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.04 -0.9 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.47 -28.96 5.15 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.704 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -60.66 -48.55 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.65 79.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.408 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.26 -48.92 0.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.538 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -77.22 -29.55 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.748 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.461 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 60.0 m -103.33 -43.0 5.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.27 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.24 -10.24 32.18 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.195 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtt? -57.22 -42.08 80.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.9 pt -58.08 -38.83 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.191 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -68.89 -46.73 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.784 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -62.31 -20.97 64.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.15 -44.25 54.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.112 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.1 m -76.3 -28.87 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -70.26 -34.53 72.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.821 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -59.45 -36.22 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.082 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -71.63 -20.72 61.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.275 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 mt -85.13 -22.04 29.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.632 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -68.37 -43.67 76.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.211 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -59.83 -37.15 78.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.363 0.601 . . . . 0.0 109.444 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.14 -33.64 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.166 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' O ' HD23 ' A' ' 30' ' ' LEU . 34.6 tt0 -56.91 -36.67 70.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.463 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.03 -46.84 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.665 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.2 m -67.78 -43.81 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.861 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.9 mm? -58.64 -27.33 64.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.833 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -79.07 -24.53 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.82 -16.22 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.385 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -86.76 -34.6 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.962 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.027 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.45 89.61 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -115.55 121.88 43.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -109.74 37.51 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.91 -38.56 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -87.79 84.05 7.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -89.54 81.53 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.715 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.07 47.35 38.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.054 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -54.48 -36.92 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 56.9 m -70.04 -44.25 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 111.697 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.55 62.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.97 -6.63 39.65 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.5 tmtp? -57.81 -42.39 84.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 15' ' ' ALA . 5.9 pt -57.3 -39.51 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.474 177.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -70.29 -37.76 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.712 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -63.89 -23.96 67.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 5.4 m-20 -74.73 -44.7 48.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.343 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -76.0 -27.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -66.93 -35.66 80.5 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -58.92 -34.96 72.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.926 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -69.97 -22.57 63.14 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.687 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.54 -27.85 17.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.759 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.472 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 50.3 m -46.7 -46.38 20.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.378 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.71 -39.99 62.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 110.117 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -34.43 57.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.472 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 53.6 mt-30 -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.6 tt0 -67.88 -35.56 78.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 5.1 mmmp? -65.7 -57.17 8.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.825 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 m -59.76 -39.27 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.428 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.45 -27.79 11.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 27.6 mt-30 -77.22 -29.33 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.989 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -14.43 17.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.91 -41.39 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.911 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.709 0.29 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.76 144.16 35.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -95.66 14.8 21.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.64 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.46 -64.99 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.106 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 53.92 87.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.758 0.314 . . . . 0.0 111.171 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 18.71 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.99 -22.26 30.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 10' ' ' THR . 1.7 p -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.305 0.574 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.558 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 26.8 m -102.89 -42.27 5.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.43 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.67 -12.46 24.52 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.297 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -56.72 -40.93 76.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.01 -38.93 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.249 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.19 -43.35 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.34 -22.3 65.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.46 -44.04 53.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -70.46 -32.76 70.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -59.54 -35.0 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.17 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -70.87 -22.16 62.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.318 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.55 -24.87 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.611 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -62.65 -46.83 86.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.919 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -53.39 -40.7 65.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.267 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -34.21 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -63.08 -30.14 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.056 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.13 -35.64 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.094 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -57.78 -47.89 81.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.7 m -69.99 -43.99 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.7 mm? -56.32 -27.8 56.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -82.82 -24.41 33.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -103.29 -12.61 17.15 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -34.43 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.914 -179.834 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.92 30.57 16.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.33 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.42 102.85 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.8 tpt -101.64 -65.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.56 -75.59 0.28 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 9' ' ' VAL . 5.8 m 55.48 34.73 23.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 mttm 54.84 24.31 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 32.69 59.88 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.686 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 6' ' ' SER . 4.4 m -55.61 -43.01 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 61.8 m -82.07 -37.74 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.963 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.43 -21.04 66.21 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.153 0.501 . . . . 0.0 110.16 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.32 -13.56 18.87 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -56.15 -41.41 75.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.658 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 15' ' ' ALA . 5.3 pt -56.55 -41.23 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.066 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.53 -41.3 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -65.34 -21.5 66.71 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 28.6 t30 -74.56 -46.89 35.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.095 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.0 m -71.23 -29.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.23 -30.15 71.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.03 -33.4 75.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.729 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 18' ' ' VAL . 10.5 mtmp? -70.95 -19.52 62.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.015 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.244 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 m -64.7 -44.8 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -52.59 -39.97 62.14 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 109.784 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.62 57.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.676 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.43 -29.68 69.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.836 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.4 tt0 -74.59 -36.44 63.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -56.64 -54.32 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.284 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.28 -40.27 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.87 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.94 -27.9 63.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.442 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 29.4 mt-30 -85.58 -24.56 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -96.55 -20.92 18.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.62 -41.86 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.07 0.462 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.837 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.61 164.93 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.009 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -137.36 87.71 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ttt -95.71 161.32 14.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.07 -88.97 0.01 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.733 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -168.06 94.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.99 5.67 22.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.571 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 35.1 0.21 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.228 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 10' ' ' THR . 1.5 p -73.96 -38.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 37.3 m -101.94 -39.75 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.09 62.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.9 -9.91 33.65 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -57.25 -42.31 81.25 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.3 pt -56.57 -39.46 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.924 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -69.9 -41.91 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -62.72 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -74.53 -46.46 39.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -72.82 -29.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -65.97 -33.15 75.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.579 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 1.6 tmtm? -60.25 -33.67 72.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.782 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 68.3 mmtt -71.38 -23.71 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.427 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.37 -27.53 20.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.52 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 32.6 m -53.72 -46.19 70.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.415 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 14.2 tpt180 -52.96 -40.05 63.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.66 57.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.883 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 15.5 tt0 -67.66 -29.32 68.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -68.45 -41.67 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.311 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.44 -50.93 72.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.64 -42.48 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mp -54.9 -29.0 54.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 25.7 mm-40 -70.01 -28.44 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.594 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -106.86 -7.51 17.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.325 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -34.26 15.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.96 0.41 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.959 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.789 0.328 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.86 41.48 27.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -119.12 86.17 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 mmt 42.06 80.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.708 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.63 16.81 2.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.457 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . 50.1 m -115.46 -13.66 11.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt 39.43 31.81 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.759 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.79 27.26 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.729 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 6' ' ' SER . 1.4 p -50.79 -41.96 22.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 121.211 0.529 . . . . 0.0 110.626 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.613 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 32.7 m -74.07 -35.89 64.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.897 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -21.58 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 -16.52 9.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.302 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtp? -56.13 -39.36 72.12 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.32 -38.51 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.926 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.45 -43.71 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.63 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -60.16 -23.48 63.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -74.88 -46.69 34.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.216 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.5 m -70.88 -29.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.049 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.3 -29.21 70.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.342 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -36.88 85.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -71.42 -15.08 62.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.15 -39.3 33.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.424 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.527 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 27.0 m -59.75 -47.03 87.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -52.72 -39.98 62.59 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.313 0.578 . . . . 0.0 110.093 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.59 -33.93 58.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.869 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 30.4 tt0 -63.89 -29.08 70.29 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.67 -35.8 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -61.54 -55.24 33.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 30' ' ' LEU . 27.2 m -59.61 -41.15 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.02 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 29' ' ' VAL . 21.9 mt -64.97 -33.72 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.272 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -80.4 -24.53 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -92.69 -25.24 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.0 111.486 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -92.13 -38.25 12.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.509 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.0 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.67 -168.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.72 -166.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.01 -75.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 9' ' ' VAL . 4.4 m 54.06 21.49 2.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.717 0.294 . . . . 0.0 111.332 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.17 37.57 0.42 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.341 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.02 43.85 41.05 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.556 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 6' ' ' SER . 2.2 m -59.66 -41.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.56 0.219 . . . . 0.0 111.316 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.2 m -104.19 -59.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -15.74 62.65 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.82 -9.87 27.63 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.143 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 2.3 tmtt? -55.63 -41.14 73.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.0 pt -60.09 -37.41 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.002 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.26 -42.18 72.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 t -64.99 -20.69 66.62 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -73.94 -46.78 42.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.132 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.2 m -73.08 -29.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.254 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.76 -34.41 71.8 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.717 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 6.3 tmtt? -60.51 -35.97 77.23 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 29.5 mtpp -70.61 -20.78 62.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.844 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.5 mt -90.34 -31.1 17.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.84 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.511 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 29.4 m -47.87 -44.59 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.118 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -52.71 -40.28 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.331 0.586 . . . . 0.0 109.896 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.44 58.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.869 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.511 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 48.2 mt-30 -64.21 -28.96 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -35.45 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.45 -55.12 17.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.217 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.05 -39.69 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.52 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -52.56 -29.24 24.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.267 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -74.2 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.782 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -4.47 24.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.546 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.0 -33.07 11.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.094 0.473 . . . . 0.0 110.318 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.879 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 91.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.72 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.92 -13.98 16.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.349 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.3 -40.21 73.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.07 -38.56 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.28 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.22 -44.99 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.99 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -60.14 -23.78 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 92.1 m-20 -74.75 -43.14 56.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.514 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 15' ' ' ALA . 4.1 m -74.74 -30.66 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' A' ' 19' ' ' GLN . 2.8 tt0 -70.72 -28.67 64.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.714 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -66.33 -28.82 68.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.874 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 22' ' ' LEU . 11.7 mt -72.65 -31.89 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.47 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 38.8 m -63.28 -49.72 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -53.56 -40.3 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.322 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.43 -33.67 58.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.814 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 11.5 tt0 -62.3 -31.61 72.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.726 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.24 -35.82 68.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.61 -52.07 42.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 19.5 m -62.83 -38.72 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.784 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.46 50.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.7 mt-30 -87.13 -26.87 23.41 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -92.4 -41.1 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.616 0.246 . . . . 0.0 111.516 -179.31 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.28 -47.79 66.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.904 0.383 . . . . 0.0 110.505 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.874 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 65.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.942 0.401 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.26 -22.32 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -9.62 32.87 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.16 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -57.62 -42.63 83.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.4 pt -56.86 -39.41 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.075 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.479 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.36 -42.02 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -61.99 -23.71 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -74.89 -43.98 51.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.2 m -75.52 -29.26 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -68.39 -31.02 70.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 2.0 tmtm? -64.75 -37.05 86.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.995 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 1.3 ptmm? -71.52 -17.29 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.112 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -86.8 -38.96 16.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.266 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 24.4 m -51.03 -44.94 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -52.82 -39.81 62.75 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.255 0.55 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.05 -33.91 57.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 13.4 tt0 -64.21 -29.74 70.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.83 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.661 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 4.6 mmmp? -59.51 -48.23 82.44 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 30' ' ' LEU . 30.9 m -71.95 -42.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.99 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 29' ' ' VAL . 10.8 mt -54.13 -28.28 38.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -86.3 -24.65 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -10.01 20.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.696 0.284 . . . . 0.0 111.753 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -33.22 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.452 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.901 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.449 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 27.5 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.834 0.35 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.21 -22.57 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.63 -10.52 30.8 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.0 tmtt? -56.98 -40.85 77.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.7 pt -59.19 -38.1 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.069 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.2 -44.78 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -61.95 -21.88 65.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -74.31 -46.46 40.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -71.37 -29.14 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.167 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' A' ' 19' ' ' GLN . 2.6 tt0 -67.59 -29.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.762 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -36.98 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -71.32 -17.85 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.007 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 mt -89.88 -36.75 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 26.9 m -50.29 -44.94 54.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -52.98 -39.2 62.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.13 0.49 . . . . 0.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.41 57.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.009 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 26.2 mt-30 -64.01 -29.12 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.089 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 3.0 tt0 -61.89 -40.09 94.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 13.6 mptt -63.42 -55.75 21.77 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.724 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.41 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 28.0 m -61.39 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.228 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -27.9 54.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 69.5 mt-30 -87.5 -24.25 24.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -98.81 -18.1 18.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.695 0.283 . . . . 0.0 111.668 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -36.72 9.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.033 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.461 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 60.0 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.889 0.376 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.27 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.24 -10.24 32.18 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.195 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtt? -57.22 -42.08 80.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.9 pt -58.08 -38.83 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.191 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -68.89 -46.73 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.784 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -62.31 -20.97 64.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.15 -44.25 54.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.112 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.1 m -76.3 -28.87 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -70.26 -34.53 72.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.821 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -59.45 -36.22 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.082 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -71.63 -20.72 61.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.275 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 mt -85.13 -22.04 29.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.632 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -68.37 -43.67 76.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.211 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -59.83 -37.15 78.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.363 0.601 . . . . 0.0 109.444 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.14 -33.64 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.166 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' O ' HD23 ' A' ' 30' ' ' LEU . 34.6 tt0 -56.91 -36.67 70.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.463 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.03 -46.84 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.665 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.2 m -67.78 -43.81 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.861 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.9 mm? -58.64 -27.33 64.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.833 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -24.53 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.82 -16.22 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.385 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -86.76 -34.6 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.962 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.027 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 56.9 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.729 0.3 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.55 62.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.97 -6.63 39.65 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 1.5 tmtp? -57.81 -42.39 84.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 15' ' ' ALA . 5.9 pt -57.3 -39.51 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.474 177.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -70.29 -37.76 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.712 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -63.89 -23.96 67.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 5.4 m-20 -74.73 -44.7 48.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.343 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -76.0 -27.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -66.93 -35.66 80.5 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -58.92 -34.96 72.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.926 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -69.97 -22.57 63.14 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.687 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.54 -27.85 17.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.759 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.597 ' HA ' HE21 ' A' ' 26' ' ' GLN . 50.3 m -46.7 -46.38 20.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.378 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.71 -39.99 62.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 110.117 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -34.43 57.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.597 HE21 ' HA ' ' A' ' 23' ' ' THR . 14.1 mt-30 -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.6 tt0 -67.88 -35.56 78.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 5.1 mmmp? -65.7 -57.17 8.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.825 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 m -59.76 -39.27 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.428 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.45 -27.79 11.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 27.6 mt-30 -77.22 -29.33 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.989 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -14.43 17.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.91 -41.39 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.911 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.558 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 26.8 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.834 0.35 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.43 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.67 -12.46 24.52 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.297 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -56.72 -40.93 76.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.01 -38.93 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.249 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.19 -43.35 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.34 -22.3 65.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.46 -44.04 53.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.441 HE21 ' HB3' ' A' ' 19' ' ' GLN . 2.9 tt0 -70.46 -32.76 70.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -59.54 -35.0 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.17 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -70.87 -22.16 62.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.318 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.55 -24.87 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.611 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -62.65 -46.83 86.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.919 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -53.39 -40.7 65.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.267 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -34.21 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.08 -30.14 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.056 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.13 -35.64 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.094 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -57.78 -47.89 81.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.7 m -69.99 -43.99 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.7 mm? -56.32 -27.8 56.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -82.82 -24.41 33.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -103.29 -12.61 17.15 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -34.43 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.914 -179.834 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 61.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.791 0.329 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.43 -21.04 66.21 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.153 0.501 . . . . 0.0 110.16 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.32 -13.56 18.87 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -56.15 -41.41 75.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.658 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 15' ' ' ALA . 5.3 pt -56.55 -41.23 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.066 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.53 -41.3 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -65.34 -21.5 66.71 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 3.0 t-20 -74.56 -46.89 35.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.095 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.0 m -71.23 -29.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.23 -30.15 71.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.03 -33.4 75.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.729 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 18' ' ' VAL . 10.5 mtmp? -70.95 -19.52 62.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.015 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.244 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 m -64.7 -44.8 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -52.59 -39.97 62.14 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 109.784 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.62 57.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.676 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.43 -29.68 69.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.836 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.4 tt0 -74.59 -36.44 63.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -56.64 -54.32 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.284 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.28 -40.27 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.87 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.94 -27.9 63.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.442 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 29.4 mt-30 -85.58 -24.56 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -96.55 -20.92 18.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.62 -41.86 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.07 0.462 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.837 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 37.3 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.849 0.356 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.09 62.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.9 -9.91 33.65 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -57.25 -42.31 81.25 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.3 pt -56.57 -39.46 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.924 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -69.9 -41.91 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -62.72 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -74.53 -46.46 39.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -72.82 -29.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -65.97 -33.15 75.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.579 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 1.6 tmtm? -60.25 -33.67 72.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.782 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 68.3 mmtt -71.38 -23.71 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.427 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.37 -27.53 20.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.52 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 32.6 m -53.72 -46.19 70.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.415 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 14.2 tpt180 -52.96 -40.05 63.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.66 57.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.883 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 15.5 tt0 -67.66 -29.32 68.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -68.45 -41.67 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.311 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.44 -50.93 72.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.64 -42.48 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mp -54.9 -29.0 54.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 25.7 mm-40 -70.01 -28.44 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.594 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -106.86 -7.51 17.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.325 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -34.26 15.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.96 0.41 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.959 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.613 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 32.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -21.58 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 -16.52 9.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.302 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtp? -56.13 -39.36 72.12 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.32 -38.51 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.926 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.45 -43.71 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.63 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -60.16 -23.48 63.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -74.88 -46.69 34.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.216 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.5 m -70.88 -29.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.049 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.3 -29.21 70.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.342 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -36.88 85.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -71.42 -15.08 62.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.15 -39.3 33.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.424 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.649 ' HA ' HE21 ' A' ' 26' ' ' GLN . 27.0 m -59.75 -47.03 87.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -52.72 -39.98 62.59 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.313 0.578 . . . . 0.0 110.093 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.59 -33.93 58.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.869 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.649 HE21 ' HA ' ' A' ' 23' ' ' THR . 4.6 tt0 -63.89 -29.08 70.29 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.67 -35.8 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -61.54 -55.24 33.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 30' ' ' LEU . 27.2 m -59.61 -41.15 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.02 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 29' ' ' VAL . 21.9 mt -64.97 -33.72 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.272 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -80.4 -24.53 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -92.69 -25.24 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.0 111.486 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -92.13 -38.25 12.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.509 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.0 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.2 m . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -15.74 62.65 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.82 -9.87 27.63 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.143 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -55.63 -41.14 73.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.0 pt -60.09 -37.41 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.002 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.26 -42.18 72.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 t -64.99 -20.69 66.62 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -73.94 -46.78 42.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.132 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.2 m -73.08 -29.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.254 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.76 -34.41 71.8 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.717 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 6.3 tmtt? -60.51 -35.97 77.23 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 29.5 mtpp -70.61 -20.78 62.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.844 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.5 mt -90.34 -31.1 17.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.84 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.511 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 29.4 m -47.87 -44.59 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.118 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -52.71 -40.28 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.331 0.586 . . . . 0.0 109.896 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.44 58.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.869 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.511 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 48.2 mt-30 -64.21 -28.96 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -35.45 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.45 -55.12 17.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.217 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.05 -39.69 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.52 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -52.56 -29.24 24.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.267 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -74.2 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.782 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -4.47 24.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.546 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.0 -33.07 11.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.094 0.473 . . . . 0.0 110.318 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.879 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.794 0.331 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 121.3 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.45 59.16 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.0 ttt -115.94 -18.51 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.95 -37.72 86.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m 57.83 95.21 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -119.83 16.47 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.11 5.33 2.17 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.73 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -55.79 -40.69 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 91.4 m -77.91 -39.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.72 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.92 -13.98 16.57 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.349 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.3 -40.21 73.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.07 -38.56 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.28 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.22 -44.99 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.99 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -60.14 -23.78 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 92.1 m-20 -74.75 -43.14 56.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.514 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 15' ' ' ALA . 4.1 m -74.74 -30.66 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' A' ' 19' ' ' GLN . 2.8 tt0 -70.72 -28.67 64.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.714 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -66.33 -28.82 68.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -71.02 -25.87 62.86 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.874 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 22' ' ' LEU . 11.7 mt -72.65 -31.89 65.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.47 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 38.8 m -63.28 -49.72 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -53.56 -40.3 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.201 0.524 . . . . 0.0 110.322 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.43 -33.67 58.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.814 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 11.5 tt0 -62.3 -31.61 72.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.726 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.24 -35.82 68.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.61 -52.07 42.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 19.5 m -62.83 -38.72 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.784 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.46 50.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 67.7 mt-30 -87.13 -26.87 23.41 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -92.4 -41.1 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.616 0.246 . . . . 0.0 111.516 -179.31 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.28 -47.79 66.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.904 0.383 . . . . 0.0 110.505 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.874 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.1 46.54 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.23 74.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.77 151.55 29.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.39 -71.89 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -77.08 83.42 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.664 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -105.7 22.9 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.014 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.85 29.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.758 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.14 -35.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 65.9 m -103.09 -43.96 5.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.26 -22.32 63.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -9.62 32.87 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.16 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -57.62 -42.63 83.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.4 pt -56.86 -39.41 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.075 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.36 -42.02 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -61.99 -23.71 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -74.89 -43.98 51.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.526 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.2 m -75.52 -29.26 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -68.39 -31.02 70.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 2.0 tmtm? -64.75 -37.05 86.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.995 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 1.3 ptmm? -71.52 -17.29 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.112 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.1 mt -86.8 -38.96 16.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.266 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 24.4 m -51.03 -44.94 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -52.82 -39.81 62.75 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.255 0.55 . . . . 0.0 109.991 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.05 -33.91 57.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.062 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 13.4 tt0 -64.21 -29.74 70.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.83 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.661 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 4.6 mmmp? -59.51 -48.23 82.44 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 30' ' ' LEU . 30.9 m -71.95 -42.6 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.99 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 29' ' ' VAL . 10.8 mt -54.13 -28.28 38.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -86.3 -24.65 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -10.01 20.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.696 0.284 . . . . 0.0 111.753 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -33.22 9.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.048 0.452 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.901 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.62 0.26 20.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.254 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -102.32 138.38 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.764 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.0 tpt -98.31 102.87 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.87 -104.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.325 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -101.54 83.65 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.693 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 8.5 mtpm? -82.5 85.14 7.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.45 39.67 93.27 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.456 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.67 -33.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.64 0.257 . . . . 0.0 111.175 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.449 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 27.5 m -102.81 -42.36 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.21 -22.57 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.63 -10.52 30.8 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.0 tmtt? -56.98 -40.85 77.33 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.7 pt -59.19 -38.1 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.069 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.2 -44.78 67.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -61.95 -21.88 65.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -74.31 -46.46 40.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.181 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -71.37 -29.14 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.167 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' A' ' 19' ' ' GLN . 2.6 tt0 -67.59 -29.63 69.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.762 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -36.98 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -71.32 -17.85 62.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.007 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.0 mt -89.88 -36.75 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.916 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 26.9 m -50.29 -44.94 54.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -52.98 -39.2 62.86 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.13 0.49 . . . . 0.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.41 57.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.009 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 26.2 mt-30 -64.01 -29.12 70.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.089 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 3.0 tt0 -61.89 -40.09 94.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 13.6 mptt -63.42 -55.75 21.77 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.724 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.41 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 28.0 m -61.39 -41.04 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.228 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -27.9 54.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 69.5 mt-30 -87.5 -24.25 24.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -98.81 -18.1 18.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.695 0.283 . . . . 0.0 111.668 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -36.72 9.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.001 0.429 . . . . 0.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.033 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 ttm . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.81 7.32 7.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.0 106.25 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.04 -0.9 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.47 -28.96 5.15 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.704 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -60.66 -48.55 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.65 79.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.408 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.26 -48.92 0.9 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.538 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -77.22 -29.55 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.177 0.513 . . . . 0.0 110.748 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.461 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 60.0 m -103.33 -43.0 5.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.27 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.24 -10.24 32.18 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.611 -0.804 . . . . 0.0 111.195 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtt? -57.22 -42.08 80.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.9 pt -58.08 -38.83 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.191 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -68.89 -46.73 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.784 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -62.31 -20.97 64.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.15 -44.25 54.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.112 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 14' ' ' ILE . 2.1 m -76.3 -28.87 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -70.26 -34.53 72.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.821 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -59.45 -36.22 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.082 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -71.63 -20.72 61.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.275 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.6 mt -85.13 -22.04 29.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.632 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -68.37 -43.67 76.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.211 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -59.83 -37.15 78.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.363 0.601 . . . . 0.0 109.444 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.14 -33.64 59.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.166 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' O ' HD23 ' A' ' 30' ' ' LEU . 34.6 tt0 -56.91 -36.67 70.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.463 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -69.03 -46.84 66.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.665 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.2 m -67.78 -43.81 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.861 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.9 mm? -58.64 -27.33 64.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.833 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -24.53 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.82 -16.22 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.385 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -86.76 -34.6 19.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.962 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.027 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.78 0.324 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.45 89.61 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -115.55 121.88 43.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -109.74 37.51 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.91 -38.56 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -87.79 84.05 7.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.031 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -89.54 81.53 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.715 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.07 47.35 38.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.054 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -54.48 -36.92 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 56.9 m -70.04 -44.25 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 111.697 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.55 62.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.142 0.496 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.97 -6.63 39.65 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.5 tmtp? -57.81 -42.39 84.15 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 15' ' ' ALA . 5.9 pt -57.3 -39.51 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.474 177.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 14' ' ' ILE . . . -70.29 -37.76 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.712 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.0 t -63.89 -23.96 67.55 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 5.4 m-20 -74.73 -44.7 48.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.343 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.9 m -76.0 -27.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.045 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -66.93 -35.66 80.5 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -58.92 -34.96 72.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.926 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -69.97 -22.57 63.14 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.687 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.54 -27.85 17.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.759 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.597 ' HA ' HE21 ' A' ' 26' ' ' GLN . 50.3 m -46.7 -46.38 20.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.378 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.71 -39.99 62.57 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 110.117 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -34.43 57.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.597 HE21 ' HA ' ' A' ' 23' ' ' THR . 14.1 mt-30 -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.6 tt0 -67.88 -35.56 78.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 5.1 mmmp? -65.7 -57.17 8.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.825 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 m -59.76 -39.27 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.428 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.45 -27.79 11.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 27.6 mt-30 -77.22 -29.33 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.989 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -14.43 17.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.91 -41.39 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.16 0.505 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.911 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.709 0.29 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.76 144.16 35.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -95.66 14.8 21.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.64 -19.28 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.46 -64.99 0.4 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.106 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 53.92 87.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.758 0.314 . . . . 0.0 111.171 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 18.71 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.69 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.99 -22.26 30.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 10' ' ' THR . 1.7 p -58.66 -39.87 77.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.305 0.574 . . . . 0.0 110.841 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.558 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 26.8 m -102.89 -42.27 5.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.43 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.67 -12.46 24.52 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.297 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -56.72 -40.93 76.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' VAL . 6.0 pt -59.01 -38.93 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.249 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.19 -43.35 70.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -62.34 -22.3 65.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -74.46 -44.04 53.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.441 HE21 ' HB3' ' A' ' 19' ' ' GLN . 2.9 tt0 -70.46 -32.76 70.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -59.54 -35.0 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.17 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -70.87 -22.16 62.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.318 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.55 -24.87 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.611 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -62.65 -46.83 86.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.919 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -53.39 -40.7 65.23 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.267 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.73 -34.21 58.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.975 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -63.08 -30.14 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.056 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.13 -35.64 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.094 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -57.78 -47.89 81.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.798 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 30' ' ' LEU . 28.7 m -69.99 -43.99 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 29' ' ' VAL . 2.7 mm? -56.32 -27.8 56.86 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -82.82 -24.41 33.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -103.29 -12.61 17.15 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -34.43 15.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.914 -179.834 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.92 30.57 16.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.33 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.42 102.85 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.8 tpt -101.64 -65.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.977 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.56 -75.59 0.28 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 9' ' ' VAL . 5.8 m 55.48 34.73 23.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 mttm 54.84 24.31 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.093 0.473 . . . . 0.0 111.204 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 32.69 59.88 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.686 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 6' ' ' SER . 4.4 m -55.61 -43.01 71.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.036 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 61.8 m -82.07 -37.74 25.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.963 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.43 -21.04 66.21 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.153 0.501 . . . . 0.0 110.16 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.32 -13.56 18.87 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -56.15 -41.41 75.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 178.658 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 15' ' ' ALA . 5.3 pt -56.55 -41.23 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.066 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.53 -41.3 72.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.522 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -65.34 -21.5 66.71 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 3.0 t-20 -74.56 -46.89 35.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.095 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.0 m -71.23 -29.35 35.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.805 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.23 -30.15 71.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -64.03 -33.4 75.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.729 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 18' ' ' VAL . 10.5 mtmp? -70.95 -19.52 62.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.015 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -27.7 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.244 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 m -64.7 -44.8 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -52.59 -39.97 62.14 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.29 0.567 . . . . 0.0 109.784 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.62 57.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.676 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.43 -29.68 69.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.836 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 2.4 tt0 -74.59 -36.44 63.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -56.64 -54.32 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.284 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.28 -40.27 85.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.87 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.94 -27.9 63.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.442 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 29.4 mt-30 -85.58 -24.56 27.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -96.55 -20.92 18.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.728 0.299 . . . . 0.0 111.343 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -84.62 -41.86 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.07 0.462 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.837 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.61 164.93 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.009 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -137.36 87.71 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.996 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ttt -95.71 161.32 14.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.07 -88.97 0.01 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.733 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.9 p -168.06 94.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 111.029 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.99 5.67 22.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.571 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.62 35.1 0.21 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.228 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 10' ' ' THR . 1.5 p -73.96 -38.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 37.3 m -101.94 -39.75 7.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.077 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.83 -23.09 62.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.9 -9.91 33.65 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.1 tmtp? -57.25 -42.31 81.25 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.3 pt -56.57 -39.46 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.924 178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -69.9 -41.91 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -62.72 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -74.53 -46.46 39.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.8 m -72.82 -29.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.137 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -65.97 -33.15 75.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.579 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 1.6 tmtm? -60.25 -33.67 72.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.782 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 68.3 mmtt -71.38 -23.71 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.427 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -89.37 -27.53 20.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.52 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 32.6 m -53.72 -46.19 70.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.415 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 14.2 tpt180 -52.96 -40.05 63.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.66 57.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.883 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 23' ' ' THR . 15.5 tt0 -67.66 -29.32 68.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -68.45 -41.67 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.311 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.44 -50.93 72.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.64 -42.48 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mp -54.9 -29.0 54.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 25.7 mm-40 -70.01 -28.44 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.594 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -106.86 -7.51 17.09 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.325 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -34.26 15.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.96 0.41 . . . . 0.0 110.714 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.959 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.789 0.328 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.86 41.48 27.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -119.12 86.17 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 mmt 42.06 80.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.708 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.63 16.81 2.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.457 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . 50.1 m -115.46 -13.66 11.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt 39.43 31.81 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.759 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.79 27.26 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.729 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 6' ' ' SER . 1.4 p -50.79 -41.96 22.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 121.211 0.529 . . . . 0.0 110.626 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.613 ' HA ' ' HB2' ' A' ' 13' ' ' LYS . 32.7 m -74.07 -35.89 64.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.897 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -21.58 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 -16.52 9.81 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.302 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HB2' ' HA ' ' A' ' 10' ' ' THR . 2.2 tmtp? -56.13 -39.36 72.12 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 pt -58.32 -38.51 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.926 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.45 -43.71 69.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.63 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -60.16 -23.48 63.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -74.88 -46.69 34.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.216 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 15' ' ' ALA . 3.5 m -70.88 -29.15 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.049 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.3 -29.21 70.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.342 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -36.88 85.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -71.42 -15.08 62.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.15 -39.3 33.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.424 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.649 ' HA ' HE21 ' A' ' 26' ' ' GLN . 27.0 m -59.75 -47.03 87.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -52.72 -39.98 62.59 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.313 0.578 . . . . 0.0 110.093 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.59 -33.93 58.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.869 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.649 HE21 ' HA ' ' A' ' 23' ' ' THR . 4.6 tt0 -63.89 -29.08 70.29 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.7 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.67 -35.8 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.768 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -61.54 -55.24 33.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.246 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 30' ' ' LEU . 27.2 m -59.61 -41.15 84.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.02 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 29' ' ' VAL . 21.9 mt -64.97 -33.72 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.272 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -80.4 -24.53 39.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' H ' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -92.69 -25.24 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.0 111.486 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -92.13 -38.25 12.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.509 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.0 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.819 0.342 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.67 -168.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -70.72 -166.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.01 -75.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 9' ' ' VAL . 4.4 m 54.06 21.49 2.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.717 0.294 . . . . 0.0 111.332 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.17 37.57 0.42 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.341 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.02 43.85 41.05 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.556 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 6' ' ' SER . 2.2 m -59.66 -41.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.56 0.219 . . . . 0.0 111.316 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.2 m -104.19 -59.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -15.74 62.65 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.183 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.82 -9.87 27.63 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.143 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 2.3 tmtt? -55.63 -41.14 73.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 15' ' ' ALA . 6.0 pt -60.09 -37.41 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.002 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -70.26 -42.18 72.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 t -64.99 -20.69 66.62 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -73.94 -46.78 42.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.132 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 15' ' ' ALA . 2.2 m -73.08 -29.88 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.254 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.76 -34.41 71.8 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.717 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 6.3 tmtt? -60.51 -35.97 77.23 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 29.5 mtpp -70.61 -20.78 62.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.844 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.5 mt -90.34 -31.1 17.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.84 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.511 ' HA ' ' HB2' ' A' ' 26' ' ' GLN . 29.4 m -47.87 -44.59 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.118 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -52.71 -40.28 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.331 0.586 . . . . 0.0 109.896 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.76 -34.44 58.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.869 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.511 ' HB2' ' HA ' ' A' ' 23' ' ' THR . 48.2 mt-30 -64.21 -28.96 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -35.45 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -66.45 -55.12 17.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.217 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.05 -39.69 81.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.52 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -52.56 -29.24 24.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.267 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -74.2 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.782 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -4.47 24.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.546 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.0 -33.07 11.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.094 0.473 . . . . 0.0 110.318 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.879 179.883 . . . . . . . . 0 0 . 1 stop_ save_