data_6r2x_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6r2x _Structure_validation_residue.Date_analyzed 2019-11-29 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 ' 9' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 13' ' ' ILE . 20.4 mmm180 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 120.917 0.389 . . . . 1.42 110.548 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.29 -37.83 79.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.067 -0.515 . . . . 1.12 109.877 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 1.38 110.052 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.5 p -68.46 -33.4 74.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.611 0.243 . . . . 0.78 111.1 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 9' ' ' ARG . 89.6 mt -67.29 -45.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.99 -0.374 . . . . 1.06 109.99 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.88 -36.18 83.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 1.16 110.082 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.26 -37.98 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 1.42 110.198 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.407 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 24.3 m170 -69.22 -38.46 78.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.93 110.251 177.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -62.65 -34.08 76.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.777 -0.453 . . . . 0.92 109.777 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.12 -34.24 77.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.87 110.846 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.45 -34.05 58.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 1.32 110.982 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 99.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 2.39 110.66 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.047 0.451 . . . . 1.42 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.21 -34.77 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.662 -0.699 . . . . 1.12 109.944 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.87 -47.29 69.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.416 -0.811 . . . . 1.38 110.278 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.2 p -69.19 -40.46 78.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.666 0.27 . . . . 0.78 110.707 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.11 -42.72 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.984 0.421 . . . . 1.06 109.939 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.4 tp -67.02 -31.32 71.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 1.16 110.251 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -66.26 -37.39 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.638 -0.504 . . . . 1.42 109.638 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -68.44 -34.1 75.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.93 110.455 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -69.96 -33.13 71.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.031 -0.359 . . . . 0.92 110.031 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.39 -38.59 90.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.87 110.431 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.65 -34.63 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.872 -0.604 . . . . 1.32 110.813 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 2.39 110.683 179.509 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.032 0.444 . . . . 1.42 110.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.89 -40.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.992 -0.549 . . . . 1.12 109.554 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.93 -45.63 81.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.366 -0.834 . . . . 1.38 110.395 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 p -69.92 -40.83 75.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.78 111.492 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.51 -42.15 92.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.845 -0.428 . . . . 1.06 109.845 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.29 -40.99 96.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 1.16 109.65 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 74.4 ttt180 -61.55 -40.2 93.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.376 -0.829 . . . . 1.42 110.635 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -70.04 -33.4 71.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.361 -0.382 . . . . 0.93 110.672 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -70.82 -33.18 70.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.227 -0.286 . . . . 0.92 110.227 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -63.68 -41.91 98.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.87 110.274 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 82.9 mt -76.93 -15.5 59.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 1.32 111.346 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.344 0.592 . . . . 2.39 109.929 178.558 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.067 0.461 . . . . 1.42 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.14 -33.27 59.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 1.12 109.604 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.0 -47.26 81.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 1.38 110.127 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 p -73.55 -40.31 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.78 111.282 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.55 -40.2 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.988 -0.285 . . . . 1.06 110.407 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.2 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.988 -0.375 . . . . 1.16 109.988 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.91 -35.97 78.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.147 0.498 . . . . 1.42 110.047 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.45 -37.95 77.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.93 110.341 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.48 -30.1 69.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.92 110.275 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -62.09 -43.69 98.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 0.87 109.996 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.68 -43.64 58.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.644 -0.707 . . . . 1.32 110.434 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 2.39 110.893 178.674 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' O ' HG13 ' A' ' 13' ' ' ILE . 22.8 mmm180 . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.003 0.43 . . . . 1.42 110.628 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.45 -35.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.321 0.582 . . . . 1.12 109.479 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.53 -46.05 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 1.38 110.35 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 p -69.2 -32.75 72.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.78 111.042 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 9' ' ' ARG . 73.3 mt -68.71 -37.33 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.096 0.474 . . . . 1.06 109.851 174.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.36 -38.48 91.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 1.16 109.857 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -63.27 -32.12 73.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 1.42 110.127 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.87 -32.08 73.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.93 110.229 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -69.75 -27.89 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.931 -0.396 . . . . 0.92 109.931 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -65.83 -45.27 82.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.51 . . . . 0.87 110.221 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.09 -31.97 63.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.799 -0.637 . . . . 1.32 110.539 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.658 -0.701 . . . . 2.39 110.443 177.295 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 110.074 -0.343 . . . . 1.42 110.074 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.74 -42.25 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.2 -0.454 . . . . 1.12 109.918 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.4 -47.55 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.812 -0.631 . . . . 1.38 110.68 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 p -71.46 -39.13 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.78 111.401 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.79 -40.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.796 0.331 . . . . 1.06 110.55 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.03 -36.11 82.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.483 -0.562 . . . . 1.16 109.483 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.7 ttt180 -60.64 -35.86 77.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 1.42 110.287 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.25 -33.7 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.93 110.369 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.68 -34.14 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.92 110.393 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -65.91 -36.53 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.24 0.543 . . . . 0.87 110.271 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 83.2 mt -81.96 -0.4 43.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.265 0.555 . . . . 1.32 110.428 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.675 -0.693 . . . . 2.39 109.315 178.336 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.04 0.447 . . . . 1.42 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.54 -41.74 93.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.87 -0.604 . . . . 1.12 109.676 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.65 -46.66 87.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 1.38 110.529 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 p -73.03 -40.08 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.78 111.559 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.9 -43.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 1.06 110.07 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.8 -35.5 80.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 1.16 110.19 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.5 ttt180 -65.48 -38.08 88.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.42 110.197 176.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.461 . . . . 0.93 110.078 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -72.76 -27.73 62.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.92 110.477 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -69.22 -43.81 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.968 0.413 . . . . 0.87 110.043 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.0 mt -67.96 -33.22 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 1.32 110.985 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 2.39 111.512 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.261 0.553 . . . . 1.42 109.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.71 -36.58 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 1.12 109.783 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.76 -48.31 82.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.415 -0.811 . . . . 1.38 110.463 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -75.64 -33.53 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.329 . . . . 0.78 111.174 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.6 -40.14 79.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.61 0.243 . . . . 1.06 110.553 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.16 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.184 0.516 . . . . 1.16 109.837 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -60.07 -34.52 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.625 -0.716 . . . . 1.42 110.292 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.48 -32.56 64.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.551 . . . . 0.93 110.696 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.98 -31.89 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.92 110.029 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -60.41 -41.31 93.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.87 110.333 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.85 -27.92 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 1.32 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 2.39 110.95 -177.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.784 0.326 . . . . 1.42 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.11 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 1.12 109.865 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.92 -50.64 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 1.38 110.28 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -36.72 78.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.78 111.66 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.87 -36.68 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.857 0.36 . . . . 1.06 110.118 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.44 -38.73 90.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.725 -0.472 . . . . 1.16 109.725 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.79 -36.0 79.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 1.42 110.395 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -68.07 -27.28 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.93 110.476 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -77.42 -32.92 54.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.449 . . . . 0.92 110.122 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.61 -35.47 77.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.87 110.287 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.56 -20.37 59.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 1.32 110.974 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 2.39 110.137 178.52 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.42 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.99 -42.41 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.473 -0.566 . . . . 1.12 109.473 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.0 -51.35 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 1.38 110.187 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 p -68.43 -39.19 81.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.5 -0.318 . . . . 0.78 111.827 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 70.4 mt -66.42 -45.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.742 -0.383 . . . . 1.06 110.355 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.18 -36.19 83.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.799 -0.445 . . . . 1.16 109.799 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.06 -37.94 89.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 1.42 110.38 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.427 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 46.6 m170 -67.69 -38.13 83.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.08 -0.509 . . . . 0.93 110.353 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 77.6 mm-40 -69.57 -30.28 68.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.92 110.064 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -62.56 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.01 -0.541 . . . . 0.87 110.048 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.61 -26.21 62.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 1.32 110.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 84.7 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 2.39 110.525 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 . . . . . 0 C--O 1.224 -0.257 0 N-CA-C 110.049 -0.352 . . . . 1.42 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.93 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.196 0.522 . . . . 1.12 109.689 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.19 -52.9 63.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.429 -0.805 . . . . 1.38 109.942 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -69.34 -37.66 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.292 -0.413 . . . . 0.78 111.727 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.43 -44.32 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 121.097 -0.241 . . . . 1.06 110.546 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.31 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 1.16 109.843 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.2 ttt180 -59.87 -39.2 84.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 1.42 110.327 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -72.29 -38.61 68.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.283 -0.417 . . . . 0.93 110.895 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -72.7 -27.98 62.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.748 0.309 . . . . 0.92 110.847 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.86 -40.57 83.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.097 0.475 . . . . 0.87 110.09 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.8 mt -77.6 -28.54 51.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 1.32 110.955 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 2.39 110.017 175.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.084 0.469 . . . . 1.42 110.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.66 -43.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.723 -0.671 . . . . 1.12 109.76 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -45.86 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.38 110.48 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.7 p -69.15 -40.2 78.34 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.647 0.26 . . . . 0.78 111.325 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.06 -41.47 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.412 . . . . 1.06 110.037 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -36.53 83.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 1.16 110.193 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.8 -38.47 82.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 1.42 110.075 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -70.0 -31.14 68.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.788 -0.642 . . . . 0.93 110.247 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -74.04 -34.59 64.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.92 110.149 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -67.83 -31.98 72.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 0.87 110.559 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.1 -27.01 35.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.121 -0.49 . . . . 1.32 110.84 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.282 0.563 . . . . 2.39 110.559 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.896 0.379 . . . . 1.42 110.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.7 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.849 -0.614 . . . . 1.12 109.705 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 1.38 110.562 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 p -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.78 111.599 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 86.8 mt -67.65 -41.86 85.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.783 -0.367 . . . . 1.06 110.024 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.81 -34.9 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.419 -0.355 . . . . 1.16 110.076 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.45 -40.12 95.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.748 -0.464 . . . . 1.42 109.748 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -69.46 -28.96 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.601 . . . . 0.93 110.537 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 31.7 mm-40 -75.27 -36.98 61.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.92 110.088 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.17 -39.71 82.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.042 0.448 . . . . 0.87 110.111 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.2 20.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.779 -0.646 . . . . 1.32 110.891 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.892 -0.594 . . . . 2.39 110.039 -179.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 120.969 0.414 . . . . 1.42 110.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.53 -32.95 60.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 1.12 109.925 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.77 -49.0 57.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.285 -0.87 . . . . 1.38 110.194 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 p -71.22 -36.17 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.78 110.959 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.17 -34.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.781 0.324 . . . . 1.06 110.342 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -42.23 96.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.166 0.508 . . . . 1.16 109.706 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.62 -32.35 73.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.858 -0.61 . . . . 1.42 110.239 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -70.63 -32.49 69.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.93 110.624 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -69.05 -35.17 76.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.042 0.448 . . . . 0.92 109.846 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -62.77 -41.04 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.87 110.245 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.02 3.87 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.899 -0.591 . . . . 1.32 111.005 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.168 -0.678 . . . . 2.39 109.168 175.845 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.226 -0.153 0 CA-C-O 120.776 0.322 . . . . 1.42 110.557 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.88 -43.9 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.704 -0.48 . . . . 1.12 109.704 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.1 -44.35 97.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 1.38 110.527 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -72.83 -36.22 67.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.554 -0.294 . . . . 0.78 111.491 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.78 -39.91 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 1.06 109.945 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.96 -34.72 78.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 1.16 110.186 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -65.41 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.97 0.414 . . . . 1.42 110.209 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.05 -27.97 68.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.42 . . . . 0.93 110.082 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.82 -31.38 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.968 -0.56 . . . . 0.92 110.121 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -66.66 -34.72 78.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.87 110.184 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.29 -13.08 60.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 1.32 110.914 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.324 0.583 . . . . 2.39 109.958 179.039 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.0 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.707 0.289 . . . . 6.97 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.34 132.19 35.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.988 0.423 . . . . 7.35 110.215 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -82.28 99.14 9.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 4.37 110.26 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.36 88.54 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 5.4 110.425 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -102.47 -19.59 14.85 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.028 -0.987 . . . . 7.4 110.853 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.88 -32.98 5.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.954 -0.641 . . . . 1.17 111.927 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.06 -18.88 62.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.108 0.41 . . . . 2.28 112.108 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.28 -30.59 69.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 1.95 110.21 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 13' ' ' ILE . 20.4 mmm180 -66.02 -41.73 90.58 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.42 110.548 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.29 -37.83 79.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.067 -0.515 . . . . 1.12 109.877 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 1.38 110.052 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.5 p -68.46 -33.4 74.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.611 0.243 . . . . 0.78 111.1 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 9' ' ' ARG . 89.6 mt -67.29 -45.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.99 -0.374 . . . . 1.06 109.99 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.88 -36.18 83.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 1.16 110.082 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.26 -37.98 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 1.42 110.198 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.407 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 24.3 m170 -69.22 -38.46 78.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.93 110.251 177.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -62.65 -34.08 76.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.777 -0.453 . . . . 0.92 109.777 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.12 -34.24 77.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.87 110.846 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.45 -34.05 58.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 1.32 110.982 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 99.2 mt -72.49 -34.88 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 2.39 110.66 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.72 90.11 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 3.35 110.323 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -104.76 22.35 15.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 4.72 110.095 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.74 146.35 52.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 6.61 109.764 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -86.31 173.75 9.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.726 -0.67 . . . . 6.27 110.98 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.523 -0.751 . . . . 8.42 109.902 -179.204 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.835 -0.431 . . . . 6.97 109.835 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 52.87 81.9 0.08 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.374 0.509 . . . . 7.35 112.374 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 p -134.14 89.66 2.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.143 0.497 . . . . 4.37 110.805 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.2 tp -79.24 85.78 5.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 5.4 109.932 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -98.86 11.99 37.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.594 -0.73 . . . . 7.4 111.017 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.95 -51.98 49.82 Favored Glycine 0 N--CA 1.455 -0.098 0 CA-C-N 116.005 -0.543 . . . . 1.17 112.633 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -69.46 -29.98 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.944 0.402 . . . . 2.28 110.266 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.18 -36.94 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.605 -0.725 . . . . 1.95 110.536 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -62.17 -46.41 89.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 1.42 110.383 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.21 -34.77 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.662 -0.699 . . . . 1.12 109.944 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.87 -47.29 69.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.416 -0.811 . . . . 1.38 110.278 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.2 p -69.19 -40.46 78.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.666 0.27 . . . . 0.78 110.707 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.11 -42.72 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.984 0.421 . . . . 1.06 109.939 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.4 tp -67.02 -31.32 71.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 1.16 110.251 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -66.26 -37.39 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.638 -0.504 . . . . 1.42 109.638 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -68.44 -34.1 75.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.93 110.455 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -69.96 -33.13 71.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.031 -0.359 . . . . 0.92 110.031 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.39 -38.59 90.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.87 110.431 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.65 -34.63 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.872 -0.604 . . . . 1.32 110.813 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.78 -24.47 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 2.39 110.683 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -57.58 107.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.711 -0.677 . . . . 3.35 110.452 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.4 48.66 16.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.262 0.553 . . . . 4.72 110.745 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.21 82.8 5.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 6.61 109.74 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -104.19 126.87 51.65 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.753 -0.658 . . . . 6.27 110.012 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.805 -0.617 . . . . 8.42 110.437 -178.277 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 t80 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.4 -0.222 . . . . 6.97 110.4 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 67.65 113.69 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.272 0.629 . . . . 7.35 110.913 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.3 p -69.16 115.68 8.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.746 -0.661 . . . . 4.37 111.036 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.9 tp -85.14 78.95 9.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.383 0.611 . . . . 5.4 109.644 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 8' ' ' GLU . 59.9 mtp180 -83.85 2.29 39.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.599 -0.728 . . . . 7.4 111.714 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.67 -49.43 78.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.553 -0.832 . . . . 1.17 111.728 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.64 -16.74 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.679 0.276 . . . . 2.28 111.049 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 5' ' ' ARG . 24.5 tt0 -62.54 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 1.95 109.824 176.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -64.65 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 1.42 110.506 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.89 -40.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.992 -0.549 . . . . 1.12 109.554 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.93 -45.63 81.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.366 -0.834 . . . . 1.38 110.395 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 p -69.92 -40.83 75.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.78 111.492 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.51 -42.15 92.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.845 -0.428 . . . . 1.06 109.845 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.29 -40.99 96.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 1.16 109.65 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 74.4 ttt180 -61.55 -40.2 93.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.376 -0.829 . . . . 1.42 110.635 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -70.04 -33.4 71.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.361 -0.382 . . . . 0.93 110.672 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -70.82 -33.18 70.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.227 -0.286 . . . . 0.92 110.227 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -63.68 -41.91 98.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.87 110.274 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 82.9 mt -76.93 -15.5 59.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 1.32 111.346 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.53 -1.59 40.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.344 0.592 . . . . 2.39 109.929 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -115.64 150.27 36.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 3.35 110.162 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 58.05 50.6 9.87 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.656 0.741 . . . . 4.72 110.294 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 19' ' ' LEU . 95.9 mt -82.74 56.4 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.446 0.641 . . . . 6.61 110.434 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -92.7 66.15 4.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 6.27 109.554 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.793 -0.623 . . . . 8.42 110.423 -175.697 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.036 0.446 . . . . 6.97 110.607 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.89 66.14 5.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.399 0.619 . . . . 7.35 109.533 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p -68.08 115.51 7.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.333 -0.849 . . . . 4.37 111.113 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.64 96.0 6.74 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.455 -0.572 . . . . 5.4 109.455 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -106.41 40.67 1.57 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.87 -0.604 . . . . 7.4 110.095 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.34 -47.92 15.78 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.584 -0.735 . . . . 1.17 111.692 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.77 -19.28 64.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 2.28 110.482 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.74 -34.1 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.665 -0.698 . . . . 1.95 110.423 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -69.16 -39.54 78.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.42 110.411 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.14 -33.27 59.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 1.12 109.604 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.0 -47.26 81.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 1.38 110.127 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 p -73.55 -40.31 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.78 111.282 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.55 -40.2 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.988 -0.285 . . . . 1.06 110.407 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.2 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.988 -0.375 . . . . 1.16 109.988 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.91 -35.97 78.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.147 0.498 . . . . 1.42 110.047 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.45 -37.95 77.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.93 110.341 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.48 -30.1 69.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.92 110.275 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -62.09 -43.69 98.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 0.87 109.996 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.68 -43.64 58.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.644 -0.707 . . . . 1.32 110.434 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 2.39 110.893 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -74.94 -59.53 2.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 3.35 110.997 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -123.96 69.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.163 0.431 . . . . 4.72 112.163 -172.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -138.04 45.42 2.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.54 0.686 . . . . 6.61 109.268 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -117.85 150.01 39.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.398 -0.819 . . . . 6.27 110.067 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.666 -0.683 . . . . 8.42 109.814 178.49 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.531 -0.544 . . . . 6.97 109.531 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.63 125.89 53.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.074 0.464 . . . . 7.35 110.298 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -82.91 140.85 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.068 -0.515 . . . . 4.37 110.802 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -134.88 102.92 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.259 -0.428 . . . . 5.4 110.456 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 5' ' ' ARG . 42.0 mtt85 -82.11 -33.56 29.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 7.4 110.611 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.6 -35.12 2.73 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.276 -0.73 . . . . 1.17 111.276 -174.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -26.08 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.321 . . . . 2.28 111.807 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.18 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 1.95 110.697 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' O ' HG13 ' A' ' 13' ' ' ILE . 22.8 mmm180 -65.79 -36.94 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.003 0.43 . . . . 1.42 110.628 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.45 -35.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.321 0.582 . . . . 1.12 109.479 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.53 -46.05 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 1.38 110.35 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 p -69.2 -32.75 72.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.78 111.042 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 9' ' ' ARG . 73.3 mt -68.71 -37.33 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.096 0.474 . . . . 1.06 109.851 174.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.36 -38.48 91.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 1.16 109.857 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -63.27 -32.12 73.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 1.42 110.127 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.87 -32.08 73.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.93 110.229 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -69.75 -27.89 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.931 -0.396 . . . . 0.92 109.931 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -65.83 -45.27 82.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.51 . . . . 0.87 110.221 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.09 -31.97 63.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.799 -0.637 . . . . 1.32 110.539 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 tp -72.96 -14.28 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.658 -0.701 . . . . 2.39 110.443 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HZ3' ' HB2' ' A' ' 21' ' ' LYS . 3.6 ttmp? -94.19 66.81 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.487 0.66 . . . . 3.35 109.791 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.97 145.97 24.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.39 -0.823 . . . . 4.72 109.48 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp 67.48 90.4 0.09 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.539 0.524 . . . . 6.61 110.565 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 73.03 159.37 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.063 -0.972 . . . . 6.27 111.733 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.5 -0.773 . . . . 8.42 109.533 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.315 -0.254 . . . . 6.97 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -146.65 111.84 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 7.35 110.282 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -121.63 107.88 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.129 -0.487 . . . . 4.37 111.402 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.6 tp -89.02 87.97 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.652 0.739 . . . . 5.4 110.11 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -95.94 -13.41 23.89 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 7.4 110.167 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.92 -38.98 3.03 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.596 -0.729 . . . . 1.17 112.422 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -67.9 -33.81 75.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.122 0.416 . . . . 2.28 112.122 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.82 -32.59 74.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.715 -0.394 . . . . 1.95 110.568 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -64.89 -43.05 94.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 1.42 110.074 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.74 -42.25 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.2 -0.454 . . . . 1.12 109.918 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.4 -47.55 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.812 -0.631 . . . . 1.38 110.68 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 p -71.46 -39.13 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.78 111.401 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.79 -40.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.796 0.331 . . . . 1.06 110.55 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.03 -36.11 82.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.483 -0.562 . . . . 1.16 109.483 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.7 ttt180 -60.64 -35.86 77.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 1.42 110.287 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.25 -33.7 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.93 110.369 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.68 -34.14 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.92 110.393 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -65.91 -36.53 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.24 0.543 . . . . 0.87 110.271 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 83.2 mt -81.96 -0.4 43.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.265 0.555 . . . . 1.32 110.428 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -119.89 30.29 7.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.675 -0.693 . . . . 2.39 109.315 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -80.82 52.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 3.35 110.786 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.67 112.53 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 4.72 110.488 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.6 tp -111.57 96.92 6.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.008 0.432 . . . . 6.61 110.199 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.04 65.71 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.539 . . . . 6.27 110.042 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.638 -0.696 . . . . 8.42 110.631 -177.176 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.392 -0.225 . . . . 6.97 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 67.82 117.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.658 0.599 . . . . 7.35 110.999 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -79.28 64.86 4.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.088 0.47 . . . . 4.37 110.959 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.9 tp -77.11 109.61 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 5.4 110.305 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -102.54 -1.78 29.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.133 -0.485 . . . . 7.4 111.729 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.46 45.61 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.987 -0.625 . . . . 1.17 112.213 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -73.45 -26.36 60.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 2.28 110.38 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.51 -35.92 82.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.547 -0.751 . . . . 1.95 110.38 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -61.17 -39.99 92.19 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.07 -0.514 . . . . 1.42 110.327 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.54 -41.74 93.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.87 -0.604 . . . . 1.12 109.676 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.65 -46.66 87.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 1.38 110.529 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 p -73.03 -40.08 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.78 111.559 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.9 -43.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 1.06 110.07 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.8 -35.5 80.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 1.16 110.19 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.5 ttt180 -65.48 -38.08 88.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.42 110.197 176.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.461 . . . . 0.93 110.078 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -72.76 -27.73 62.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.92 110.477 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -69.22 -43.81 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.968 0.413 . . . . 0.87 110.043 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.0 mt -67.96 -33.22 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 1.32 110.985 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.11 9.84 34.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 2.39 111.512 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -68.2 -52.27 36.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.778 0.323 . . . . 3.35 110.796 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.56 64.63 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.189 0.518 . . . . 4.72 110.322 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -107.85 68.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.667 -0.697 . . . . 6.61 109.479 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -104.22 132.0 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 6.27 110.789 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.472 -0.775 . . . . 8.42 110.868 -177.199 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 119.874 -0.107 . . . . 6.97 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 49.36 60.38 3.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.03 0.443 . . . . 7.35 111.943 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -119.46 93.12 3.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.146 -0.479 . . . . 4.37 110.795 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.8 tp -78.67 92.35 4.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.273 0.559 . . . . 5.4 110.021 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -91.05 10.57 26.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.996 -0.547 . . . . 7.4 111.201 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.89 -45.4 96.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.053 -0.594 . . . . 1.17 112.069 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.37 -21.19 59.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.815 0.34 . . . . 2.28 110.802 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.18 -32.56 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 1.95 110.093 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -61.87 -40.68 96.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.881 -0.599 . . . . 1.42 109.869 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.71 -36.58 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 1.12 109.783 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.76 -48.31 82.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.415 -0.811 . . . . 1.38 110.463 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -75.64 -33.53 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.329 . . . . 0.78 111.174 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.6 -40.14 79.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.61 0.243 . . . . 1.06 110.553 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.16 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.184 0.516 . . . . 1.16 109.837 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -60.07 -34.52 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.625 -0.716 . . . . 1.42 110.292 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.48 -32.56 64.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.551 . . . . 0.93 110.696 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.98 -31.89 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.92 110.029 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -60.41 -41.31 93.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.87 110.333 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.85 -27.92 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 1.32 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -83.23 -36.68 24.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 2.39 110.95 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -65.34 131.66 47.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 3.35 110.481 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.37 75.44 7.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.071 0.462 . . . . 4.72 110.211 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.38 84.18 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 6.61 109.754 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -115.41 126.58 54.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.762 -0.653 . . . . 6.27 110.334 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.538 -0.744 . . . . 8.42 110.542 -179.818 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.649 -0.13 . . . . 6.97 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 70.19 126.44 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.565 0.54 . . . . 7.35 111.037 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -86.65 78.14 9.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.321 0.581 . . . . 4.37 110.67 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -86.79 88.79 7.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.885 -0.598 . . . . 5.4 109.878 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 61.8 mtp180 -107.4 15.79 24.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.45 -0.795 . . . . 7.4 111.71 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.84 81.12 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.99 -0.624 . . . . 1.17 112.417 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -75.69 -29.85 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.93 0.395 . . . . 2.28 110.396 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.26 -33.17 75.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 1.95 110.57 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 25.1 mmm180 -65.96 -38.65 89.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 1.42 110.378 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.11 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 1.12 109.865 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.92 -50.64 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 1.38 110.28 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -36.72 78.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.78 111.66 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.87 -36.68 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.857 0.36 . . . . 1.06 110.118 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.44 -38.73 90.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.725 -0.472 . . . . 1.16 109.725 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.79 -36.0 79.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 1.42 110.395 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -68.07 -27.28 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.93 110.476 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -77.42 -32.92 54.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.449 . . . . 0.92 110.122 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.61 -35.47 77.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.87 110.287 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.56 -20.37 59.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 1.32 110.974 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -73.52 -24.05 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 2.39 110.137 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -97.18 177.5 5.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 3.35 110.338 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 59.19 36.53 23.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.758 0.79 . . . . 4.72 110.461 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.7 mt -100.03 10.59 41.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.525 -0.761 . . . . 6.61 110.246 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 72.18 169.6 0.32 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.034 0.834 . . . . 6.27 111.342 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.513 -0.755 . . . . 8.42 110.452 -177.599 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.901 -0.407 . . . . 6.97 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -96.6 123.23 40.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.02 0.438 . . . . 7.35 110.217 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -76.89 99.43 5.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 4.37 111.337 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 tp -75.67 85.37 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 5.4 109.993 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -100.6 -20.64 15.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.875 -1.057 . . . . 7.4 111.059 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.72 -25.27 28.73 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.572 -0.823 . . . . 1.17 111.613 -176.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -60.08 -33.57 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 2.28 111.219 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.01 -26.06 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 1.95 110.675 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -67.22 -40.11 86.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 1.42 110.164 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.99 -42.41 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.473 -0.566 . . . . 1.12 109.473 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.0 -51.35 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 1.38 110.187 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 p -68.43 -39.19 81.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.5 -0.318 . . . . 0.78 111.827 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 70.4 mt -66.42 -45.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.742 -0.383 . . . . 1.06 110.355 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.18 -36.19 83.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.799 -0.445 . . . . 1.16 109.799 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.06 -37.94 89.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 1.42 110.38 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.427 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 46.6 m170 -67.69 -38.13 83.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.08 -0.509 . . . . 0.93 110.353 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 77.6 mm-40 -69.57 -30.28 68.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.92 110.064 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -62.56 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.01 -0.541 . . . . 0.87 110.048 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.61 -26.21 62.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 1.32 110.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 84.7 mt -76.92 -27.53 54.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 2.39 110.525 176.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.33 76.82 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.327 0.585 . . . . 3.35 110.378 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.98 58.74 5.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.853 0.835 . . . . 4.72 108.844 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -127.75 96.63 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.979 -1.009 . . . . 6.61 110.397 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -135.77 154.83 51.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.072 -0.513 . . . . 6.27 109.732 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.809 -0.615 . . . . 8.42 110.226 -177.731 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.785 -0.45 . . . . 6.97 109.785 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -108.75 77.76 1.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.152 0.501 . . . . 7.35 110.153 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -96.25 100.43 12.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.806 -0.634 . . . . 4.37 111.092 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.14 76.1 9.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.439 0.638 . . . . 5.4 110.07 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -90.2 -19.09 24.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 7.4 110.275 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.69 -53.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.755 -0.657 . . . . 1.17 112.311 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.25 -25.25 65.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.0 -31.33 69.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.421 . . . . 1.95 110.571 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -71.97 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.42 110.049 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.93 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.196 0.522 . . . . 1.12 109.689 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.19 -52.9 63.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.429 -0.805 . . . . 1.38 109.942 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -69.34 -37.66 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.292 -0.413 . . . . 0.78 111.727 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.43 -44.32 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 121.097 -0.241 . . . . 1.06 110.546 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.31 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 1.16 109.843 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.2 ttt180 -59.87 -39.2 84.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 1.42 110.327 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -72.29 -38.61 68.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.283 -0.417 . . . . 0.93 110.895 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -72.7 -27.98 62.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.748 0.309 . . . . 0.92 110.847 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.86 -40.57 83.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.097 0.475 . . . . 0.87 110.09 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.8 mt -77.6 -28.54 51.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 1.32 110.955 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.92 -42.89 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 2.39 110.017 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -56.51 132.47 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.911 -0.586 . . . . 3.35 110.669 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -110.47 134.0 52.76 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.318 -0.623 . . . . 4.72 109.318 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.87 86.32 7.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.303 -0.408 . . . . 6.61 110.035 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -93.88 146.55 23.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.364 -0.38 . . . . 6.27 110.724 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.18 -0.915 . . . . 8.42 109.708 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 p90 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.832 0.349 . . . . 6.97 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -83.46 121.81 27.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 7.35 110.469 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 p -142.37 147.34 36.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.156 -0.475 . . . . 4.37 110.289 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -80.64 82.64 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 5.4 110.114 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -85.76 3.9 39.26 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.085 -0.961 . . . . 7.4 111.382 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.13 -45.72 95.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.892 -0.671 . . . . 1.17 111.993 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.06 -20.07 49.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 2.28 110.533 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.11 -34.65 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.95 110.003 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -59.95 -37.13 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.788 -0.642 . . . . 1.42 110.505 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.66 -43.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.723 -0.671 . . . . 1.12 109.76 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -45.86 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.38 110.48 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.7 p -69.15 -40.2 78.34 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.647 0.26 . . . . 0.78 111.325 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.06 -41.47 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.412 . . . . 1.06 110.037 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -36.53 83.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 1.16 110.193 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.8 -38.47 82.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 1.42 110.075 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -70.0 -31.14 68.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.788 -0.642 . . . . 0.93 110.247 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -74.04 -34.59 64.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.92 110.149 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -67.83 -31.98 72.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 0.87 110.559 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.1 -27.01 35.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.121 -0.49 . . . . 1.32 110.84 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp -79.26 -7.81 58.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.282 0.563 . . . . 2.39 110.559 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -75.74 109.28 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 3.35 109.824 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.08 45.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 4.72 110.655 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -139.22 94.64 2.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.434 -0.803 . . . . 6.61 109.684 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -113.05 179.38 3.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.014 -0.539 . . . . 6.27 110.442 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.481 -0.771 . . . . 8.42 109.68 178.378 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 p90 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.87 -0.419 . . . . 6.97 109.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -69.66 82.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 7.35 111.365 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.2 p -77.9 122.09 25.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 4.37 110.173 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.35 91.09 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.263 0.554 . . . . 5.4 109.979 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -112.26 35.78 3.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.673 -0.694 . . . . 7.4 111.052 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.48 -54.57 5.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.875 -0.679 . . . . 1.17 111.779 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.89 -12.76 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.046 0.451 . . . . 2.28 110.51 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.27 -29.49 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.818 -0.628 . . . . 1.95 109.787 173.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.98 -0.554 . . . . 1.42 110.48 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.7 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.849 -0.614 . . . . 1.12 109.705 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 1.38 110.562 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 p -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.78 111.599 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 86.8 mt -67.65 -41.86 85.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.783 -0.367 . . . . 1.06 110.024 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.81 -34.9 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.419 -0.355 . . . . 1.16 110.076 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.45 -40.12 95.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.748 -0.464 . . . . 1.42 109.748 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -69.46 -28.96 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.601 . . . . 0.93 110.537 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 31.7 mm-40 -75.27 -36.98 61.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.92 110.088 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.17 -39.71 82.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.042 0.448 . . . . 0.87 110.111 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.2 20.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.779 -0.646 . . . . 1.32 110.891 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 tp -135.81 -49.69 0.7 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.892 -0.594 . . . . 2.39 110.039 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HZ3' ' HB2' ' A' ' 21' ' ' LYS . 4.6 ttmp? -60.15 -43.35 95.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.239 -0.891 . . . . 3.35 111.054 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.31 105.19 3.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.446 -0.343 . . . . 4.72 110.218 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 tp -141.3 69.27 1.33 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.324 0.583 . . . . 6.61 109.98 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.73 123.04 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.675 -0.693 . . . . 6.27 109.808 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.605 -0.712 . . . . 8.42 110.906 -179.055 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.4 p90 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.783 0.325 . . . . 6.97 110.159 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.53 138.88 33.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.896 0.379 . . . . 7.35 110.308 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p -91.04 128.53 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.947 -0.569 . . . . 4.37 110.156 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.1 tp -83.24 85.45 7.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.381 0.61 . . . . 5.4 109.701 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -86.74 -3.79 59.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.469 -0.787 . . . . 7.4 111.601 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.06 -59.63 4.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 1.17 113.604 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.84 -16.08 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.968 0.384 . . . . 2.28 111.352 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.44 -29.25 70.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 1.95 110.368 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.27 -38.31 88.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.109 -0.496 . . . . 1.42 110.466 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.53 -32.95 60.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 1.12 109.925 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.77 -49.0 57.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.285 -0.87 . . . . 1.38 110.194 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 p -71.22 -36.17 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.78 110.959 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.17 -34.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.781 0.324 . . . . 1.06 110.342 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -42.23 96.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.166 0.508 . . . . 1.16 109.706 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.62 -32.35 73.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.858 -0.61 . . . . 1.42 110.239 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -70.63 -32.49 69.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.93 110.624 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -69.05 -35.17 76.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.042 0.448 . . . . 0.92 109.846 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -62.77 -41.04 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.87 110.245 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.02 3.87 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.899 -0.591 . . . . 1.32 111.005 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.6 tp -105.56 1.13 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.168 -0.678 . . . . 2.39 109.168 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -105.76 100.2 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.364 -0.834 . . . . 3.35 110.237 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -87.23 53.59 2.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 4.72 110.624 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.8 mt -111.29 84.24 1.91 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.134 0.492 . . . . 6.61 109.951 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -123.89 40.3 3.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 6.27 110.428 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.64 -0.695 . . . . 8.42 110.415 -179.276 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.165 -0.309 . . . . 6.97 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -137.1 77.7 1.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.486 0.66 . . . . 7.35 110.498 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -112.58 60.9 0.63 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.972 -0.558 . . . . 4.37 111.291 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.72 89.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.377 0.608 . . . . 5.4 110.696 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -107.64 32.39 4.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 7.4 111.11 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.23 -56.71 4.99 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.082 -0.58 . . . . 1.17 112.884 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.56 -16.3 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 2.28 111.985 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.43 -29.72 67.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 1.95 110.468 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.68 -42.61 95.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 1.42 110.557 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.88 -43.9 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.704 -0.48 . . . . 1.12 109.704 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.1 -44.35 97.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 1.38 110.527 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -72.83 -36.22 67.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.554 -0.294 . . . . 0.78 111.491 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.78 -39.91 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 1.06 109.945 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.96 -34.72 78.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 1.16 110.186 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -65.41 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.97 0.414 . . . . 1.42 110.209 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.05 -27.97 68.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.42 . . . . 0.93 110.082 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.82 -31.38 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.968 -0.56 . . . . 0.92 110.121 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -66.66 -34.72 78.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.87 110.184 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.29 -13.08 60.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 1.32 110.914 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp -91.44 -16.11 27.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.324 0.583 . . . . 2.39 109.958 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -89.57 103.19 15.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.449 -0.796 . . . . 3.35 110.315 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.26 -39.02 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 4.72 110.668 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.3 tp -72.21 109.01 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 6.61 110.345 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -126.05 173.04 9.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.077 -0.511 . . . . 6.27 109.661 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.502 -0.761 . . . . 8.42 110.077 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 13' ' ' ILE . 20.4 mmm180 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 120.917 0.389 . . . . 1.19 110.548 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.29 -37.83 79.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.067 -0.515 . . . . 0.35 109.877 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.67 110.052 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.5 p -68.46 -33.4 74.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.611 0.243 . . . . 0.16 111.1 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 9' ' ' ARG . 89.6 mt -67.29 -45.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.99 -0.374 . . . . 0.23 109.99 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.88 -36.18 83.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.34 110.082 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.26 -37.98 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 1.14 110.198 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 24.3 m170 -69.22 -38.46 78.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.68 110.251 177.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -62.65 -34.08 76.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.777 -0.453 . . . . 0.73 109.777 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.12 -34.24 77.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.82 110.846 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.45 -34.05 58.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.83 110.982 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 99.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 1.85 110.66 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.047 0.451 . . . . 1.19 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.21 -34.77 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.662 -0.699 . . . . 0.35 109.944 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.87 -47.29 69.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.416 -0.811 . . . . 0.67 110.278 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.2 p -69.19 -40.46 78.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.666 0.27 . . . . 0.16 110.707 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.11 -42.72 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.984 0.421 . . . . 0.23 109.939 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.4 tp -67.02 -31.32 71.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 0.34 110.251 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -66.26 -37.39 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.638 -0.504 . . . . 1.14 109.638 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -68.44 -34.1 75.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.68 110.455 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -69.96 -33.13 71.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.031 -0.359 . . . . 0.73 110.031 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.39 -38.59 90.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.82 110.431 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.65 -34.63 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.872 -0.604 . . . . 0.83 110.813 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.85 110.683 179.509 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.032 0.444 . . . . 1.19 110.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.89 -40.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.992 -0.549 . . . . 0.35 109.554 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.93 -45.63 81.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.366 -0.834 . . . . 0.67 110.395 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 p -69.92 -40.83 75.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.16 111.492 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.51 -42.15 92.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.845 -0.428 . . . . 0.23 109.845 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.29 -40.99 96.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.34 109.65 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 74.4 ttt180 -61.55 -40.2 93.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.376 -0.829 . . . . 1.14 110.635 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -70.04 -33.4 71.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.361 -0.382 . . . . 0.68 110.672 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -70.82 -33.18 70.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.227 -0.286 . . . . 0.73 110.227 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -63.68 -41.91 98.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.82 110.274 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 82.9 mt -76.93 -15.5 59.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 0.83 111.346 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.344 0.592 . . . . 1.85 109.929 178.558 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.067 0.461 . . . . 1.19 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.14 -33.27 59.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 0.35 109.604 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.0 -47.26 81.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.67 110.127 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 p -73.55 -40.31 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.16 111.282 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.55 -40.2 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.988 -0.285 . . . . 0.23 110.407 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.2 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.988 -0.375 . . . . 0.34 109.988 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.91 -35.97 78.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.147 0.498 . . . . 1.14 110.047 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.45 -37.95 77.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.68 110.341 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.48 -30.1 69.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.73 110.275 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -62.09 -43.69 98.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 0.82 109.996 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.68 -43.64 58.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.644 -0.707 . . . . 0.83 110.434 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 1.85 110.893 178.674 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.003 0.43 . . . . 1.19 110.628 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.45 -35.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.321 0.582 . . . . 0.35 109.479 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.53 -46.05 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.67 110.35 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 p -69.2 -32.75 72.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.16 111.042 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.71 -37.33 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.096 0.474 . . . . 0.23 109.851 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.36 -38.48 91.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.34 109.857 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -63.27 -32.12 73.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 1.14 110.127 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.87 -32.08 73.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.68 110.229 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -69.75 -27.89 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.931 -0.396 . . . . 0.73 109.931 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -65.83 -45.27 82.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.51 . . . . 0.82 110.221 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.09 -31.97 63.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.799 -0.637 . . . . 0.83 110.539 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.658 -0.701 . . . . 1.85 110.443 177.295 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 110.074 -0.343 . . . . 1.19 110.074 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.74 -42.25 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.2 -0.454 . . . . 0.35 109.918 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.4 -47.55 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.812 -0.631 . . . . 0.67 110.68 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 17.2 p -71.46 -39.13 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.16 111.401 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.79 -40.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.796 0.331 . . . . 0.23 110.55 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.03 -36.11 82.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.483 -0.562 . . . . 0.34 109.483 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.7 ttt180 -60.64 -35.86 77.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 1.14 110.287 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.25 -33.7 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.68 110.369 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.68 -34.14 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.73 110.393 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -65.91 -36.53 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.24 0.543 . . . . 0.82 110.271 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 83.2 mt -81.96 -0.4 43.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.265 0.555 . . . . 0.83 110.428 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.675 -0.693 . . . . 1.85 109.315 178.336 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.04 0.447 . . . . 1.19 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.54 -41.74 93.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.87 -0.604 . . . . 0.35 109.676 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.65 -46.66 87.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 0.67 110.529 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 p -73.03 -40.08 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.16 111.559 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.9 -43.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 0.23 110.07 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.8 -35.5 80.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.34 110.19 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.5 ttt180 -65.48 -38.08 88.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.14 110.197 176.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.461 . . . . 0.68 110.078 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -72.76 -27.73 62.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.73 110.477 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -69.22 -43.81 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.968 0.413 . . . . 0.82 110.043 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.0 mt -67.96 -33.22 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.83 110.985 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 1.85 111.512 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.261 0.553 . . . . 1.19 109.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.71 -36.58 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.35 109.783 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 11' ' ' LEU . 7.9 tt -60.76 -48.31 82.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.415 -0.811 . . . . 0.67 110.463 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -75.64 -33.53 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.329 . . . . 0.16 111.174 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.6 -40.14 79.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.61 0.243 . . . . 0.23 110.553 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.16 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.34 109.837 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -60.07 -34.52 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.292 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.48 -32.56 64.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.551 . . . . 0.68 110.696 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.98 -31.89 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.73 110.029 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -60.41 -41.31 93.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.82 110.333 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.85 -27.92 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 0.83 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 1.85 110.95 -177.652 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.784 0.326 . . . . 1.19 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.11 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.35 109.865 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.92 -50.64 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.67 110.28 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -36.72 78.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.16 111.66 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.87 -36.68 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.857 0.36 . . . . 0.23 110.118 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.44 -38.73 90.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.725 -0.472 . . . . 0.34 109.725 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.79 -36.0 79.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 1.14 110.395 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -68.07 -27.28 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.68 110.476 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -77.42 -32.92 54.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.449 . . . . 0.73 110.122 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.61 -35.47 77.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.82 110.287 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.56 -20.37 59.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.83 110.974 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 1.85 110.137 178.52 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.19 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.99 -42.41 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.473 -0.566 . . . . 0.35 109.473 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.0 -51.35 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.67 110.187 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 p -68.43 -39.19 81.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.5 -0.318 . . . . 0.16 111.827 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 70.4 mt -66.42 -45.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.742 -0.383 . . . . 0.23 110.355 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.18 -36.19 83.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.799 -0.445 . . . . 0.34 109.799 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.06 -37.94 89.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 1.14 110.38 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 46.6 m170 -67.69 -38.13 83.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.08 -0.509 . . . . 0.68 110.353 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 77.6 mm-40 -69.57 -30.28 68.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.73 110.064 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -62.56 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.01 -0.541 . . . . 0.82 110.048 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.61 -26.21 62.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.83 110.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 84.7 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 1.85 110.525 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 . . . . . 0 C--O 1.224 -0.257 0 N-CA-C 110.049 -0.352 . . . . 1.19 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.93 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.196 0.522 . . . . 0.35 109.689 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.19 -52.9 63.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.67 109.942 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -69.34 -37.66 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.292 -0.413 . . . . 0.16 111.727 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.43 -44.32 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 121.097 -0.241 . . . . 0.23 110.546 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.31 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.34 109.843 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.478 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.2 ttt180 -59.87 -39.2 84.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 1.14 110.327 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -72.29 -38.61 68.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.283 -0.417 . . . . 0.68 110.895 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -72.7 -27.98 62.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.748 0.309 . . . . 0.73 110.847 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.86 -40.57 83.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.097 0.475 . . . . 0.82 110.09 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.8 mt -77.6 -28.54 51.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 0.83 110.955 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 1.85 110.017 175.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.084 0.469 . . . . 1.19 110.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.66 -43.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.723 -0.671 . . . . 0.35 109.76 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -45.86 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.67 110.48 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.7 p -69.15 -40.2 78.34 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.647 0.26 . . . . 0.16 111.325 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.06 -41.47 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.412 . . . . 0.23 110.037 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -36.53 83.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.34 110.193 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.8 -38.47 82.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 1.14 110.075 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -70.0 -31.14 68.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.788 -0.642 . . . . 0.68 110.247 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -74.04 -34.59 64.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.73 110.149 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -67.83 -31.98 72.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 0.82 110.559 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.1 -27.01 35.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.121 -0.49 . . . . 0.83 110.84 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.282 0.563 . . . . 1.85 110.559 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.896 0.379 . . . . 1.19 110.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.7 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.849 -0.614 . . . . 0.35 109.705 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.67 110.562 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 p -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.16 111.599 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 86.8 mt -67.65 -41.86 85.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.783 -0.367 . . . . 0.23 110.024 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.81 -34.9 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.419 -0.355 . . . . 0.34 110.076 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.45 -40.12 95.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.748 -0.464 . . . . 1.14 109.748 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -69.46 -28.96 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.601 . . . . 0.68 110.537 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 31.7 mm-40 -75.27 -36.98 61.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.73 110.088 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.17 -39.71 82.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.042 0.448 . . . . 0.82 110.111 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.2 20.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.779 -0.646 . . . . 0.83 110.891 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.892 -0.594 . . . . 1.85 110.039 -179.882 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 120.969 0.414 . . . . 1.19 110.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.53 -32.95 60.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.35 109.925 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.77 -49.0 57.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.285 -0.87 . . . . 0.67 110.194 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 p -71.22 -36.17 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.16 110.959 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.17 -34.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.781 0.324 . . . . 0.23 110.342 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -42.23 96.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.166 0.508 . . . . 0.34 109.706 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.62 -32.35 73.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.858 -0.61 . . . . 1.14 110.239 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -70.63 -32.49 69.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.68 110.624 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -69.05 -35.17 76.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.042 0.448 . . . . 0.73 109.846 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -62.77 -41.04 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.82 110.245 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.02 3.87 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.83 111.005 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.168 -0.678 . . . . 1.85 109.168 175.845 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.226 -0.153 0 CA-C-O 120.776 0.322 . . . . 1.19 110.557 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.88 -43.9 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.704 -0.48 . . . . 0.35 109.704 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.1 -44.35 97.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.67 110.527 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -72.83 -36.22 67.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.554 -0.294 . . . . 0.16 111.491 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.78 -39.91 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.23 109.945 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.96 -34.72 78.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 0.34 110.186 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -65.41 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.97 0.414 . . . . 1.14 110.209 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.05 -27.97 68.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.42 . . . . 0.68 110.082 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.82 -31.38 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.968 -0.56 . . . . 0.73 110.121 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -66.66 -34.72 78.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.82 110.184 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.29 -13.08 60.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.83 110.914 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.324 0.583 . . . . 1.85 109.958 179.039 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.0 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.707 0.289 . . . . 6.65 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.34 132.19 35.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.988 0.423 . . . . 7.35 110.215 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -82.28 99.14 9.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 4.13 110.26 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.36 88.54 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 4.92 110.425 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -102.47 -19.59 14.85 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.028 -0.987 . . . . 6.65 110.853 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.88 -32.98 5.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.954 -0.641 . . . . 1.05 111.927 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.06 -18.88 62.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.108 0.41 . . . . 2.28 112.108 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.28 -30.59 69.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 1.95 110.21 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 13' ' ' ILE . 20.4 mmm180 -66.02 -41.73 90.58 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.19 110.548 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.29 -37.83 79.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.067 -0.515 . . . . 0.35 109.877 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.67 110.052 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.5 p -68.46 -33.4 74.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.611 0.243 . . . . 0.16 111.1 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 9' ' ' ARG . 89.6 mt -67.29 -45.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.99 -0.374 . . . . 0.23 109.99 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.88 -36.18 83.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.34 110.082 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.26 -37.98 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 1.14 110.198 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 24.3 m170 -69.22 -38.46 78.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.68 110.251 177.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -62.65 -34.08 76.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.777 -0.453 . . . . 0.73 109.777 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.12 -34.24 77.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.82 110.846 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.45 -34.05 58.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.83 110.982 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 99.2 mt -72.49 -34.88 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 1.85 110.66 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.72 90.11 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 2.87 110.323 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -104.76 22.35 15.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 4.72 110.095 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.74 146.35 52.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 6.2 109.764 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -86.31 173.75 9.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.726 -0.67 . . . . 5.63 110.98 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.523 -0.751 . . . . 8.42 109.902 -179.204 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.835 -0.431 . . . . 6.65 109.835 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 52.87 81.9 0.08 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.374 0.509 . . . . 7.35 112.374 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 p -134.14 89.66 2.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.143 0.497 . . . . 4.13 110.805 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.2 tp -79.24 85.78 5.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 4.92 109.932 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -98.86 11.99 37.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.594 -0.73 . . . . 6.65 111.017 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.95 -51.98 49.82 Favored Glycine 0 N--CA 1.455 -0.098 0 CA-C-N 116.005 -0.543 . . . . 1.05 112.633 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -69.46 -29.98 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.944 0.402 . . . . 2.28 110.266 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.18 -36.94 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.605 -0.725 . . . . 1.95 110.536 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -62.17 -46.41 89.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 1.19 110.383 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.21 -34.77 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.662 -0.699 . . . . 0.35 109.944 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.87 -47.29 69.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.416 -0.811 . . . . 0.67 110.278 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.2 p -69.19 -40.46 78.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.666 0.27 . . . . 0.16 110.707 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.11 -42.72 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.984 0.421 . . . . 0.23 109.939 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.4 tp -67.02 -31.32 71.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 0.34 110.251 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -66.26 -37.39 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.638 -0.504 . . . . 1.14 109.638 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -68.44 -34.1 75.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.68 110.455 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -69.96 -33.13 71.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.031 -0.359 . . . . 0.73 110.031 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.39 -38.59 90.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.82 110.431 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.65 -34.63 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.872 -0.604 . . . . 0.83 110.813 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.78 -24.47 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.85 110.683 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -57.58 107.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.711 -0.677 . . . . 2.87 110.452 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.4 48.66 16.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.262 0.553 . . . . 4.72 110.745 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.21 82.8 5.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 6.2 109.74 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -104.19 126.87 51.65 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.753 -0.658 . . . . 5.63 110.012 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.805 -0.617 . . . . 8.42 110.437 -178.277 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 t80 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.4 -0.222 . . . . 6.65 110.4 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 67.65 113.69 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.272 0.629 . . . . 7.35 110.913 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.3 p -69.16 115.68 8.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.746 -0.661 . . . . 4.13 111.036 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.9 tp -85.14 78.95 9.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.383 0.611 . . . . 4.92 109.644 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 8' ' ' GLU . 59.9 mtp180 -83.85 2.29 39.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.599 -0.728 . . . . 6.65 111.714 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.67 -49.43 78.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.553 -0.832 . . . . 1.05 111.728 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.64 -16.74 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.679 0.276 . . . . 2.28 111.049 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 5' ' ' ARG . 24.5 tt0 -62.54 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 1.95 109.824 176.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -64.65 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 1.19 110.506 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.89 -40.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.992 -0.549 . . . . 0.35 109.554 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.93 -45.63 81.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.366 -0.834 . . . . 0.67 110.395 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 p -69.92 -40.83 75.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.16 111.492 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.51 -42.15 92.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.845 -0.428 . . . . 0.23 109.845 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.29 -40.99 96.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.34 109.65 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 74.4 ttt180 -61.55 -40.2 93.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.376 -0.829 . . . . 1.14 110.635 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -70.04 -33.4 71.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.361 -0.382 . . . . 0.68 110.672 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -70.82 -33.18 70.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.227 -0.286 . . . . 0.73 110.227 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -63.68 -41.91 98.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.82 110.274 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' HD21 ' A' ' 23' ' ' LEU . 82.9 mt -76.93 -15.5 59.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 0.83 111.346 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.53 -1.59 40.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.344 0.592 . . . . 1.85 109.929 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -115.64 150.27 36.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 2.87 110.162 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 58.05 50.6 9.87 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.656 0.741 . . . . 4.72 110.294 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 19' ' ' LEU . 95.9 mt -82.74 56.4 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.446 0.641 . . . . 6.2 110.434 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -92.7 66.15 4.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 5.63 109.554 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.793 -0.623 . . . . 8.42 110.423 -175.697 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.036 0.446 . . . . 6.65 110.607 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.89 66.14 5.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.399 0.619 . . . . 7.35 109.533 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p -68.08 115.51 7.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.333 -0.849 . . . . 4.13 111.113 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.64 96.0 6.74 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.455 -0.572 . . . . 4.92 109.455 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -106.41 40.67 1.57 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.87 -0.604 . . . . 6.65 110.095 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.34 -47.92 15.78 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.584 -0.735 . . . . 1.05 111.692 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.77 -19.28 64.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 2.28 110.482 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.74 -34.1 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.665 -0.698 . . . . 1.95 110.423 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -69.16 -39.54 78.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.19 110.411 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.14 -33.27 59.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 0.35 109.604 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.0 -47.26 81.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.67 110.127 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 p -73.55 -40.31 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.16 111.282 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.55 -40.2 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.988 -0.285 . . . . 0.23 110.407 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.2 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.988 -0.375 . . . . 0.34 109.988 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.91 -35.97 78.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.147 0.498 . . . . 1.14 110.047 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.45 -37.95 77.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.68 110.341 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.48 -30.1 69.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.73 110.275 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -62.09 -43.69 98.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 0.82 109.996 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.68 -43.64 58.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.644 -0.707 . . . . 0.83 110.434 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 1.85 110.893 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -74.94 -59.53 2.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 2.87 110.997 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -123.96 69.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.163 0.431 . . . . 4.72 112.163 -172.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -138.04 45.42 2.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.54 0.686 . . . . 6.2 109.268 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -117.85 150.01 39.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.398 -0.819 . . . . 5.63 110.067 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.666 -0.683 . . . . 8.42 109.814 178.49 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.531 -0.544 . . . . 6.65 109.531 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -109.63 125.89 53.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.074 0.464 . . . . 7.35 110.298 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -82.91 140.85 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.068 -0.515 . . . . 4.13 110.802 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -134.88 102.92 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.259 -0.428 . . . . 4.92 110.456 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 5' ' ' ARG . 42.0 mtt85 -82.11 -33.56 29.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 6.65 110.611 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.6 -35.12 2.73 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.276 -0.73 . . . . 1.05 111.276 -174.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -26.08 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.321 . . . . 2.28 111.807 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.18 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 1.95 110.697 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -65.79 -36.94 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.003 0.43 . . . . 1.19 110.628 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.45 -35.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.321 0.582 . . . . 0.35 109.479 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.53 -46.05 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.67 110.35 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 p -69.2 -32.75 72.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.16 111.042 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.71 -37.33 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.096 0.474 . . . . 0.23 109.851 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.36 -38.48 91.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.34 109.857 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -63.27 -32.12 73.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 1.14 110.127 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.87 -32.08 73.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.68 110.229 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -69.75 -27.89 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.931 -0.396 . . . . 0.73 109.931 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -65.83 -45.27 82.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.51 . . . . 0.82 110.221 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.09 -31.97 63.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.799 -0.637 . . . . 0.83 110.539 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 tp -72.96 -14.28 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.658 -0.701 . . . . 1.85 110.443 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 3.6 ttmp? -94.19 66.81 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.487 0.66 . . . . 2.87 109.791 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.97 145.97 24.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.39 -0.823 . . . . 4.72 109.48 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp 67.48 90.4 0.09 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.539 0.524 . . . . 6.2 110.565 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 73.03 159.37 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.063 -0.972 . . . . 5.63 111.733 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.5 -0.773 . . . . 8.42 109.533 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.315 -0.254 . . . . 6.65 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -146.65 111.84 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 7.35 110.282 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -121.63 107.88 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.129 -0.487 . . . . 4.13 111.402 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.6 tp -89.02 87.97 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.652 0.739 . . . . 4.92 110.11 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -95.94 -13.41 23.89 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 6.65 110.167 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.92 -38.98 3.03 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.596 -0.729 . . . . 1.05 112.422 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -67.9 -33.81 75.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.122 0.416 . . . . 2.28 112.122 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.82 -32.59 74.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.715 -0.394 . . . . 1.95 110.568 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -64.89 -43.05 94.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 1.19 110.074 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.74 -42.25 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.2 -0.454 . . . . 0.35 109.918 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.4 -47.55 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.812 -0.631 . . . . 0.67 110.68 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 17.2 p -71.46 -39.13 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.16 111.401 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.79 -40.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.796 0.331 . . . . 0.23 110.55 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.03 -36.11 82.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.483 -0.562 . . . . 0.34 109.483 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.7 ttt180 -60.64 -35.86 77.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 1.14 110.287 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.25 -33.7 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.68 110.369 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.68 -34.14 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.73 110.393 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -65.91 -36.53 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.24 0.543 . . . . 0.82 110.271 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 83.2 mt -81.96 -0.4 43.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.265 0.555 . . . . 0.83 110.428 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -119.89 30.29 7.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.675 -0.693 . . . . 1.85 109.315 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -80.82 52.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 2.87 110.786 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.67 112.53 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 4.72 110.488 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.6 tp -111.57 96.92 6.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.008 0.432 . . . . 6.2 110.199 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.04 65.71 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.539 . . . . 5.63 110.042 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.638 -0.696 . . . . 8.42 110.631 -177.176 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.392 -0.225 . . . . 6.65 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 67.82 117.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.658 0.599 . . . . 7.35 110.999 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -79.28 64.86 4.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.088 0.47 . . . . 4.13 110.959 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.9 tp -77.11 109.61 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 4.92 110.305 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -102.54 -1.78 29.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.133 -0.485 . . . . 6.65 111.729 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.46 45.61 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.987 -0.625 . . . . 1.05 112.213 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -73.45 -26.36 60.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 2.28 110.38 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.51 -35.92 82.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.547 -0.751 . . . . 1.95 110.38 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -61.17 -39.99 92.19 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.07 -0.514 . . . . 1.19 110.327 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.54 -41.74 93.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.87 -0.604 . . . . 0.35 109.676 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.65 -46.66 87.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 0.67 110.529 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 p -73.03 -40.08 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.16 111.559 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.9 -43.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 0.23 110.07 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.8 -35.5 80.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.34 110.19 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.5 ttt180 -65.48 -38.08 88.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.14 110.197 176.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.461 . . . . 0.68 110.078 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -72.76 -27.73 62.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.73 110.477 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -69.22 -43.81 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.968 0.413 . . . . 0.82 110.043 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.0 mt -67.96 -33.22 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.83 110.985 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.11 9.84 34.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 1.85 111.512 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -68.2 -52.27 36.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.778 0.323 . . . . 2.87 110.796 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.56 64.63 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.189 0.518 . . . . 4.72 110.322 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -107.85 68.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.667 -0.697 . . . . 6.2 109.479 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -104.22 132.0 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 5.63 110.789 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.472 -0.775 . . . . 8.42 110.868 -177.199 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 119.874 -0.107 . . . . 6.65 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 49.36 60.38 3.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.03 0.443 . . . . 7.35 111.943 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -119.46 93.12 3.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.146 -0.479 . . . . 4.13 110.795 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.8 tp -78.67 92.35 4.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.273 0.559 . . . . 4.92 110.021 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 8' ' ' GLU . 80.7 mtp180 -91.05 10.57 26.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.996 -0.547 . . . . 6.65 111.201 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.89 -45.4 96.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.053 -0.594 . . . . 1.05 112.069 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.37 -21.19 59.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.815 0.34 . . . . 2.28 110.802 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 5' ' ' ARG . 34.4 tt0 -65.18 -32.56 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 1.95 110.093 175.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -61.87 -40.68 96.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.881 -0.599 . . . . 1.19 109.869 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.71 -36.58 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.35 109.783 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 11' ' ' LEU . 7.9 tt -60.76 -48.31 82.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.415 -0.811 . . . . 0.67 110.463 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -75.64 -33.53 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.329 . . . . 0.16 111.174 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.6 -40.14 79.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.61 0.243 . . . . 0.23 110.553 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.16 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.34 109.837 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -60.07 -34.52 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.292 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.48 -32.56 64.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.551 . . . . 0.68 110.696 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.98 -31.89 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.73 110.029 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -60.41 -41.31 93.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.82 110.333 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.85 -27.92 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 0.83 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -83.23 -36.68 24.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 1.85 110.95 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -65.34 131.66 47.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 2.87 110.481 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.37 75.44 7.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.071 0.462 . . . . 4.72 110.211 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.38 84.18 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 6.2 109.754 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -115.41 126.58 54.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.762 -0.653 . . . . 5.63 110.334 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.538 -0.744 . . . . 8.42 110.542 -179.818 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.649 -0.13 . . . . 6.65 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 70.19 126.44 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.565 0.54 . . . . 7.35 111.037 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -86.65 78.14 9.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.321 0.581 . . . . 4.13 110.67 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -86.79 88.79 7.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.885 -0.598 . . . . 4.92 109.878 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 61.8 mtp180 -107.4 15.79 24.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.45 -0.795 . . . . 6.65 111.71 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.84 81.12 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.99 -0.624 . . . . 1.05 112.417 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -75.69 -29.85 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.93 0.395 . . . . 2.28 110.396 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.26 -33.17 75.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 1.95 110.57 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 25.1 mmm180 -65.96 -38.65 89.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 1.19 110.378 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.11 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.35 109.865 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.92 -50.64 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.67 110.28 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -36.72 78.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.16 111.66 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.87 -36.68 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.857 0.36 . . . . 0.23 110.118 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.44 -38.73 90.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.725 -0.472 . . . . 0.34 109.725 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.79 -36.0 79.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 1.14 110.395 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -68.07 -27.28 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.68 110.476 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -77.42 -32.92 54.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.449 . . . . 0.73 110.122 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.61 -35.47 77.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.82 110.287 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.56 -20.37 59.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.83 110.974 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -73.52 -24.05 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 1.85 110.137 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -97.18 177.5 5.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 2.87 110.338 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 59.19 36.53 23.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.758 0.79 . . . . 4.72 110.461 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.7 mt -100.03 10.59 41.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.525 -0.761 . . . . 6.2 110.246 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 72.18 169.6 0.32 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.034 0.834 . . . . 5.63 111.342 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.513 -0.755 . . . . 8.42 110.452 -177.599 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.901 -0.407 . . . . 6.65 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -96.6 123.23 40.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.02 0.438 . . . . 7.35 110.217 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -76.89 99.43 5.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 4.13 111.337 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 tp -75.67 85.37 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 4.92 109.993 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -100.6 -20.64 15.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.875 -1.057 . . . . 6.65 111.059 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.72 -25.27 28.73 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.572 -0.823 . . . . 1.05 111.613 -176.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -60.08 -33.57 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 2.28 111.219 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.01 -26.06 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 1.95 110.675 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -67.22 -40.11 86.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 1.19 110.164 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.99 -42.41 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.473 -0.566 . . . . 0.35 109.473 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.0 -51.35 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.67 110.187 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 p -68.43 -39.19 81.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.5 -0.318 . . . . 0.16 111.827 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 70.4 mt -66.42 -45.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.742 -0.383 . . . . 0.23 110.355 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.18 -36.19 83.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.799 -0.445 . . . . 0.34 109.799 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.06 -37.94 89.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 1.14 110.38 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 46.6 m170 -67.69 -38.13 83.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.08 -0.509 . . . . 0.68 110.353 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 77.6 mm-40 -69.57 -30.28 68.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.73 110.064 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -62.56 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.01 -0.541 . . . . 0.82 110.048 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.61 -26.21 62.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.83 110.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 84.7 mt -76.92 -27.53 54.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 1.85 110.525 176.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.33 76.82 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.327 0.585 . . . . 2.87 110.378 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.98 58.74 5.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.853 0.835 . . . . 4.72 108.844 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -127.75 96.63 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.979 -1.009 . . . . 6.2 110.397 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -135.77 154.83 51.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.072 -0.513 . . . . 5.63 109.732 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.809 -0.615 . . . . 8.42 110.226 -177.731 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.785 -0.45 . . . . 6.65 109.785 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -108.75 77.76 1.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.152 0.501 . . . . 7.35 110.153 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -96.25 100.43 12.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.806 -0.634 . . . . 4.13 111.092 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.14 76.1 9.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.439 0.638 . . . . 4.92 110.07 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 5' ' ' ARG . 19.7 mtm180 -90.2 -19.09 24.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 6.65 110.275 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.69 -53.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.755 -0.657 . . . . 1.05 112.311 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.25 -25.25 65.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.0 -31.33 69.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.421 . . . . 1.95 110.571 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -71.97 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.19 110.049 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.93 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.196 0.522 . . . . 0.35 109.689 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.19 -52.9 63.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.67 109.942 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -69.34 -37.66 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.292 -0.413 . . . . 0.16 111.727 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.43 -44.32 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 121.097 -0.241 . . . . 0.23 110.546 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.31 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.34 109.843 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.478 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.2 ttt180 -59.87 -39.2 84.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 1.14 110.327 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -72.29 -38.61 68.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.283 -0.417 . . . . 0.68 110.895 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -72.7 -27.98 62.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.748 0.309 . . . . 0.73 110.847 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.86 -40.57 83.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.097 0.475 . . . . 0.82 110.09 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.8 mt -77.6 -28.54 51.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 0.83 110.955 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.92 -42.89 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 1.85 110.017 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -56.51 132.47 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.911 -0.586 . . . . 2.87 110.669 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -110.47 134.0 52.76 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.318 -0.623 . . . . 4.72 109.318 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.87 86.32 7.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.303 -0.408 . . . . 6.2 110.035 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -93.88 146.55 23.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.364 -0.38 . . . . 5.63 110.724 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.18 -0.915 . . . . 8.42 109.708 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 p90 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.832 0.349 . . . . 6.65 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -83.46 121.81 27.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 7.35 110.469 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 p -142.37 147.34 36.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.156 -0.475 . . . . 4.13 110.289 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -80.64 82.64 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 4.92 110.114 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -85.76 3.9 39.26 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.085 -0.961 . . . . 6.65 111.382 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.13 -45.72 95.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.892 -0.671 . . . . 1.05 111.993 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.06 -20.07 49.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 2.28 110.533 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.11 -34.65 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.95 110.003 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -59.95 -37.13 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.788 -0.642 . . . . 1.19 110.505 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.66 -43.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.723 -0.671 . . . . 0.35 109.76 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -45.86 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.67 110.48 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.7 p -69.15 -40.2 78.34 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.647 0.26 . . . . 0.16 111.325 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.06 -41.47 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.412 . . . . 0.23 110.037 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -36.53 83.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.34 110.193 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.8 -38.47 82.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 1.14 110.075 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -70.0 -31.14 68.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.788 -0.642 . . . . 0.68 110.247 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -74.04 -34.59 64.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.73 110.149 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -67.83 -31.98 72.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 0.82 110.559 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.1 -27.01 35.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.121 -0.49 . . . . 0.83 110.84 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp -79.26 -7.81 58.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.282 0.563 . . . . 1.85 110.559 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -75.74 109.28 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 2.87 109.824 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.08 45.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 4.72 110.655 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -139.22 94.64 2.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.434 -0.803 . . . . 6.2 109.684 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -113.05 179.38 3.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.014 -0.539 . . . . 5.63 110.442 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.481 -0.771 . . . . 8.42 109.68 178.378 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 p90 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.87 -0.419 . . . . 6.65 109.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -69.66 82.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 7.35 111.365 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.2 p -77.9 122.09 25.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 4.13 110.173 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.35 91.09 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.263 0.554 . . . . 4.92 109.979 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -112.26 35.78 3.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.673 -0.694 . . . . 6.65 111.052 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.48 -54.57 5.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.875 -0.679 . . . . 1.05 111.779 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.89 -12.76 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.046 0.451 . . . . 2.28 110.51 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.27 -29.49 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.818 -0.628 . . . . 1.95 109.787 173.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.98 -0.554 . . . . 1.19 110.48 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.7 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.849 -0.614 . . . . 0.35 109.705 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.67 110.562 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 p -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.16 111.599 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 86.8 mt -67.65 -41.86 85.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.783 -0.367 . . . . 0.23 110.024 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.81 -34.9 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.419 -0.355 . . . . 0.34 110.076 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.45 -40.12 95.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.748 -0.464 . . . . 1.14 109.748 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -69.46 -28.96 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.601 . . . . 0.68 110.537 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 31.7 mm-40 -75.27 -36.98 61.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.73 110.088 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.17 -39.71 82.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.042 0.448 . . . . 0.82 110.111 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.2 20.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.779 -0.646 . . . . 0.83 110.891 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 tp -135.81 -49.69 0.7 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.892 -0.594 . . . . 1.85 110.039 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -60.15 -43.35 95.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.239 -0.891 . . . . 2.87 111.054 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.31 105.19 3.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.446 -0.343 . . . . 4.72 110.218 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 tp -141.3 69.27 1.33 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.324 0.583 . . . . 6.2 109.98 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -116.73 123.04 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.675 -0.693 . . . . 5.63 109.808 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.605 -0.712 . . . . 8.42 110.906 -179.055 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.4 p90 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.783 0.325 . . . . 6.65 110.159 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.53 138.88 33.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.896 0.379 . . . . 7.35 110.308 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p -91.04 128.53 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.947 -0.569 . . . . 4.13 110.156 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.1 tp -83.24 85.45 7.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.381 0.61 . . . . 4.92 109.701 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -86.74 -3.79 59.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.469 -0.787 . . . . 6.65 111.601 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.06 -59.63 4.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 1.05 113.604 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.84 -16.08 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.968 0.384 . . . . 2.28 111.352 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.44 -29.25 70.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 1.95 110.368 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.27 -38.31 88.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.109 -0.496 . . . . 1.19 110.466 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.53 -32.95 60.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.35 109.925 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.77 -49.0 57.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.285 -0.87 . . . . 0.67 110.194 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 p -71.22 -36.17 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.16 110.959 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.17 -34.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.781 0.324 . . . . 0.23 110.342 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -42.23 96.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.166 0.508 . . . . 0.34 109.706 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.62 -32.35 73.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.858 -0.61 . . . . 1.14 110.239 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -70.63 -32.49 69.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.68 110.624 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -69.05 -35.17 76.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.042 0.448 . . . . 0.73 109.846 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -62.77 -41.04 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.82 110.245 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.02 3.87 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.83 111.005 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.6 tp -105.56 1.13 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.168 -0.678 . . . . 1.85 109.168 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -105.76 100.2 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.364 -0.834 . . . . 2.87 110.237 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -87.23 53.59 2.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 4.72 110.624 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.8 mt -111.29 84.24 1.91 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.134 0.492 . . . . 6.2 109.951 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -123.89 40.3 3.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 5.63 110.428 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.64 -0.695 . . . . 8.42 110.415 -179.276 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.165 -0.309 . . . . 6.65 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -137.1 77.7 1.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.486 0.66 . . . . 7.35 110.498 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -112.58 60.9 0.63 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.972 -0.558 . . . . 4.13 111.291 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.72 89.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.377 0.608 . . . . 4.92 110.696 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -107.64 32.39 4.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 6.65 111.11 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.23 -56.71 4.99 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.082 -0.58 . . . . 1.05 112.884 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.56 -16.3 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 2.28 111.985 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.43 -29.72 67.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 1.95 110.468 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.68 -42.61 95.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 1.19 110.557 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.88 -43.9 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.704 -0.48 . . . . 0.35 109.704 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.1 -44.35 97.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.67 110.527 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -72.83 -36.22 67.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.554 -0.294 . . . . 0.16 111.491 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.78 -39.91 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.23 109.945 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.96 -34.72 78.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 0.34 110.186 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -65.41 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.97 0.414 . . . . 1.14 110.209 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.05 -27.97 68.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.42 . . . . 0.68 110.082 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.82 -31.38 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.968 -0.56 . . . . 0.73 110.121 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -66.66 -34.72 78.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.82 110.184 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.29 -13.08 60.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.83 110.914 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp -91.44 -16.11 27.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.324 0.583 . . . . 1.85 109.958 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -89.57 103.19 15.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.449 -0.796 . . . . 2.87 110.315 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.26 -39.02 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 4.72 110.668 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.3 tp -72.21 109.01 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 6.2 110.345 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -126.05 173.04 9.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.077 -0.511 . . . . 5.63 109.661 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.502 -0.761 . . . . 8.42 110.077 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 13' ' ' ILE . 20.4 mmm180 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 120.917 0.389 . . . . 1.19 110.548 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.29 -37.83 79.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.067 -0.515 . . . . 0.35 109.877 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.67 110.052 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.5 p -68.46 -33.4 74.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.611 0.243 . . . . 0.16 111.1 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 9' ' ' ARG . 89.6 mt -67.29 -45.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.99 -0.374 . . . . 0.23 109.99 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.88 -36.18 83.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.34 110.082 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.26 -37.98 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 1.14 110.198 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 24.3 m170 -69.22 -38.46 78.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.68 110.251 177.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -62.65 -34.08 76.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.777 -0.453 . . . . 0.73 109.777 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.12 -34.24 77.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.82 110.846 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.45 -34.05 58.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.83 110.982 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 99.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 1.85 110.66 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 121.047 0.451 . . . . 1.19 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.21 -34.77 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.662 -0.699 . . . . 0.35 109.944 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.87 -47.29 69.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.416 -0.811 . . . . 0.67 110.278 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.2 p -69.19 -40.46 78.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.666 0.27 . . . . 0.16 110.707 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.11 -42.72 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.984 0.421 . . . . 0.23 109.939 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.4 tp -67.02 -31.32 71.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 0.34 110.251 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -66.26 -37.39 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.638 -0.504 . . . . 1.14 109.638 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -68.44 -34.1 75.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.68 110.455 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -69.96 -33.13 71.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.031 -0.359 . . . . 0.73 110.031 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.39 -38.59 90.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.82 110.431 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.65 -34.63 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.872 -0.604 . . . . 0.83 110.813 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.85 110.683 179.509 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.032 0.444 . . . . 1.19 110.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.89 -40.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.992 -0.549 . . . . 0.35 109.554 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.93 -45.63 81.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.366 -0.834 . . . . 0.67 110.395 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 p -69.92 -40.83 75.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.16 111.492 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.51 -42.15 92.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.845 -0.428 . . . . 0.23 109.845 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.29 -40.99 96.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.34 109.65 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 74.4 ttt180 -61.55 -40.2 93.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.376 -0.829 . . . . 1.14 110.635 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -70.04 -33.4 71.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.361 -0.382 . . . . 0.68 110.672 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -70.82 -33.18 70.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.227 -0.286 . . . . 0.73 110.227 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -63.68 -41.91 98.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.82 110.274 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 82.9 mt -76.93 -15.5 59.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 0.83 111.346 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.344 0.592 . . . . 1.85 109.929 178.558 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.067 0.461 . . . . 1.19 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.14 -33.27 59.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 0.35 109.604 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.0 -47.26 81.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.67 110.127 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 p -73.55 -40.31 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.16 111.282 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.55 -40.2 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.988 -0.285 . . . . 0.23 110.407 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.2 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.988 -0.375 . . . . 0.34 109.988 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.91 -35.97 78.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.147 0.498 . . . . 1.14 110.047 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.45 -37.95 77.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.68 110.341 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.48 -30.1 69.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.73 110.275 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -62.09 -43.69 98.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 0.82 109.996 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.68 -43.64 58.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.644 -0.707 . . . . 0.83 110.434 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 1.85 110.893 178.674 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.003 0.43 . . . . 1.19 110.628 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.45 -35.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.321 0.582 . . . . 0.35 109.479 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.53 -46.05 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.67 110.35 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 p -69.2 -32.75 72.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.16 111.042 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.71 -37.33 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.096 0.474 . . . . 0.23 109.851 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.36 -38.48 91.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.34 109.857 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -63.27 -32.12 73.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 1.14 110.127 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.87 -32.08 73.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.68 110.229 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -69.75 -27.89 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.931 -0.396 . . . . 0.73 109.931 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -65.83 -45.27 82.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.51 . . . . 0.82 110.221 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.09 -31.97 63.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.799 -0.637 . . . . 0.83 110.539 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.658 -0.701 . . . . 1.85 110.443 177.295 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 110.074 -0.343 . . . . 1.19 110.074 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.74 -42.25 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.2 -0.454 . . . . 0.35 109.918 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.4 -47.55 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.812 -0.631 . . . . 0.67 110.68 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 17.2 p -71.46 -39.13 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.16 111.401 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.79 -40.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.796 0.331 . . . . 0.23 110.55 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.03 -36.11 82.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.483 -0.562 . . . . 0.34 109.483 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.7 ttt180 -60.64 -35.86 77.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 1.14 110.287 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.25 -33.7 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.68 110.369 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.68 -34.14 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.73 110.393 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -65.91 -36.53 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.24 0.543 . . . . 0.82 110.271 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 83.2 mt -81.96 -0.4 43.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.265 0.555 . . . . 0.83 110.428 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.675 -0.693 . . . . 1.85 109.315 178.336 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.04 0.447 . . . . 1.19 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.54 -41.74 93.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.87 -0.604 . . . . 0.35 109.676 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.65 -46.66 87.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 0.67 110.529 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 p -73.03 -40.08 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.16 111.559 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.9 -43.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 0.23 110.07 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.8 -35.5 80.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.34 110.19 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.5 ttt180 -65.48 -38.08 88.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.14 110.197 176.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.461 . . . . 0.68 110.078 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -72.76 -27.73 62.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.73 110.477 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -69.22 -43.81 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.968 0.413 . . . . 0.82 110.043 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.0 mt -67.96 -33.22 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.83 110.985 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 1.85 111.512 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.261 0.553 . . . . 1.19 109.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.71 -36.58 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.35 109.783 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 11' ' ' LEU . 7.9 tt -60.76 -48.31 82.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.415 -0.811 . . . . 0.67 110.463 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -75.64 -33.53 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.329 . . . . 0.16 111.174 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.6 -40.14 79.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.61 0.243 . . . . 0.23 110.553 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.16 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.34 109.837 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -60.07 -34.52 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.292 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.48 -32.56 64.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.551 . . . . 0.68 110.696 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.98 -31.89 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.73 110.029 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -60.41 -41.31 93.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.82 110.333 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.85 -27.92 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 0.83 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 1.85 110.95 -177.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.784 0.326 . . . . 1.19 110.378 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.11 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.35 109.865 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.92 -50.64 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.67 110.28 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -36.72 78.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.16 111.66 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.87 -36.68 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.857 0.36 . . . . 0.23 110.118 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.44 -38.73 90.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.725 -0.472 . . . . 0.34 109.725 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.79 -36.0 79.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 1.14 110.395 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -68.07 -27.28 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.68 110.476 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -77.42 -32.92 54.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.449 . . . . 0.73 110.122 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.61 -35.47 77.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.82 110.287 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.56 -20.37 59.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.83 110.974 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 1.85 110.137 178.52 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.19 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.99 -42.41 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.473 -0.566 . . . . 0.35 109.473 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.0 -51.35 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.67 110.187 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 p -68.43 -39.19 81.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.5 -0.318 . . . . 0.16 111.827 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 70.4 mt -66.42 -45.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.742 -0.383 . . . . 0.23 110.355 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.18 -36.19 83.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.799 -0.445 . . . . 0.34 109.799 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.06 -37.94 89.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 1.14 110.38 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 46.6 m170 -67.69 -38.13 83.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.08 -0.509 . . . . 0.68 110.353 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 77.6 mm-40 -69.57 -30.28 68.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.73 110.064 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -62.56 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.01 -0.541 . . . . 0.82 110.048 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.61 -26.21 62.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.83 110.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 84.7 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 1.85 110.525 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 . . . . . 0 C--O 1.224 -0.257 0 N-CA-C 110.049 -0.352 . . . . 1.19 110.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.93 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.196 0.522 . . . . 0.35 109.689 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.19 -52.9 63.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.67 109.942 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -69.34 -37.66 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.292 -0.413 . . . . 0.16 111.727 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.43 -44.32 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 121.097 -0.241 . . . . 0.23 110.546 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.31 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.34 109.843 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.478 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.2 ttt180 -59.87 -39.2 84.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 1.14 110.327 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -72.29 -38.61 68.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.283 -0.417 . . . . 0.68 110.895 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -72.7 -27.98 62.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.748 0.309 . . . . 0.73 110.847 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.86 -40.57 83.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.097 0.475 . . . . 0.82 110.09 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.8 mt -77.6 -28.54 51.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 0.83 110.955 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 1.85 110.017 175.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.084 0.469 . . . . 1.19 110.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.66 -43.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.723 -0.671 . . . . 0.35 109.76 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -45.86 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.67 110.48 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.7 p -69.15 -40.2 78.34 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.647 0.26 . . . . 0.16 111.325 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.06 -41.47 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.412 . . . . 0.23 110.037 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -36.53 83.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.34 110.193 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.8 -38.47 82.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 1.14 110.075 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -70.0 -31.14 68.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.788 -0.642 . . . . 0.68 110.247 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -74.04 -34.59 64.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.73 110.149 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -67.83 -31.98 72.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 0.82 110.559 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.1 -27.01 35.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.121 -0.49 . . . . 0.83 110.84 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.282 0.563 . . . . 1.85 110.559 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.896 0.379 . . . . 1.19 110.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.7 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.849 -0.614 . . . . 0.35 109.705 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.67 110.562 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 p -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.16 111.599 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 86.8 mt -67.65 -41.86 85.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.783 -0.367 . . . . 0.23 110.024 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.81 -34.9 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.419 -0.355 . . . . 0.34 110.076 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.45 -40.12 95.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.748 -0.464 . . . . 1.14 109.748 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -69.46 -28.96 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.601 . . . . 0.68 110.537 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 31.7 mm-40 -75.27 -36.98 61.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.73 110.088 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.17 -39.71 82.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.042 0.448 . . . . 0.82 110.111 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.2 20.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.779 -0.646 . . . . 0.83 110.891 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.892 -0.594 . . . . 1.85 110.039 -179.882 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.222 -0.384 0 CA-C-O 120.969 0.414 . . . . 1.19 110.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.53 -32.95 60.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.35 109.925 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.77 -49.0 57.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.285 -0.87 . . . . 0.67 110.194 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 p -71.22 -36.17 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.16 110.959 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.17 -34.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.781 0.324 . . . . 0.23 110.342 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -42.23 96.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.166 0.508 . . . . 0.34 109.706 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.62 -32.35 73.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.858 -0.61 . . . . 1.14 110.239 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -70.63 -32.49 69.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.68 110.624 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -69.05 -35.17 76.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.042 0.448 . . . . 0.73 109.846 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -62.77 -41.04 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.82 110.245 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.02 3.87 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.83 111.005 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.168 -0.678 . . . . 1.85 109.168 175.845 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 . . . . . 0 C--O 1.226 -0.153 0 CA-C-O 120.776 0.322 . . . . 1.19 110.557 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.88 -43.9 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.704 -0.48 . . . . 0.35 109.704 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.1 -44.35 97.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.67 110.527 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -72.83 -36.22 67.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.554 -0.294 . . . . 0.16 111.491 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.78 -39.91 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.23 109.945 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.96 -34.72 78.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 0.34 110.186 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -65.41 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.97 0.414 . . . . 1.14 110.209 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.05 -27.97 68.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.42 . . . . 0.68 110.082 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.82 -31.38 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.968 -0.56 . . . . 0.73 110.121 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -66.66 -34.72 78.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.82 110.184 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.29 -13.08 60.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.83 110.914 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.324 0.583 . . . . 1.85 109.958 179.039 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.0 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.707 0.289 . . . . 6.65 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.34 132.19 35.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.988 0.423 . . . . 7.35 110.215 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -82.28 99.14 9.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 4.13 110.26 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.9 tp -74.36 88.54 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 4.92 110.425 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -102.47 -19.59 14.85 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.028 -0.987 . . . . 6.65 110.853 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.88 -32.98 5.06 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.954 -0.641 . . . . 1.05 111.927 -175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.06 -18.88 62.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.108 0.41 . . . . 2.28 112.108 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.28 -30.59 69.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 1.95 110.21 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 13' ' ' ILE . 20.4 mmm180 -66.02 -41.73 90.58 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.19 110.548 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.29 -37.83 79.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.067 -0.515 . . . . 0.35 109.877 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -58.34 -49.06 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.67 110.052 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.5 p -68.46 -33.4 74.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.611 0.243 . . . . 0.16 111.1 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 9' ' ' ARG . 89.6 mt -67.29 -45.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.99 -0.374 . . . . 0.23 109.99 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -63.88 -36.18 83.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.34 110.082 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.26 -37.98 85.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 1.14 110.198 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 24.3 m170 -69.22 -38.46 78.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.68 110.251 177.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -62.65 -34.08 76.34 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.777 -0.453 . . . . 0.73 109.777 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.12 -34.24 77.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.713 -0.676 . . . . 0.82 110.846 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.45 -34.05 58.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.83 110.982 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 99.2 mt -72.49 -34.88 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 1.85 110.66 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.72 90.11 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 2.87 110.323 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -104.76 22.35 15.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.789 -0.641 . . . . 4.72 110.095 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.74 146.35 52.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 6.2 109.764 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -86.31 173.75 9.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.726 -0.67 . . . . 5.63 110.98 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.523 -0.751 . . . . 8.42 109.902 -179.204 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.835 -0.431 . . . . 6.65 109.835 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 52.87 81.9 0.08 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.374 0.509 . . . . 7.35 112.374 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 p -134.14 89.66 2.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.143 0.497 . . . . 4.13 110.805 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.2 tp -79.24 85.78 5.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 4.92 109.932 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -98.86 11.99 37.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.594 -0.73 . . . . 6.65 111.017 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.95 -51.98 49.82 Favored Glycine 0 N--CA 1.455 -0.098 0 CA-C-N 116.005 -0.543 . . . . 1.05 112.633 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -69.46 -29.98 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.944 0.402 . . . . 2.28 110.266 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.18 -36.94 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.605 -0.725 . . . . 1.95 110.536 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -62.17 -46.41 89.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 1.19 110.383 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.21 -34.77 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.662 -0.699 . . . . 0.35 109.944 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.87 -47.29 69.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.416 -0.811 . . . . 0.67 110.278 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.2 p -69.19 -40.46 78.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.666 0.27 . . . . 0.16 110.707 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.11 -42.72 96.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.984 0.421 . . . . 0.23 109.939 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.4 tp -67.02 -31.32 71.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.044 -0.525 . . . . 0.34 110.251 177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -66.26 -37.39 85.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.638 -0.504 . . . . 1.14 109.638 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -68.44 -34.1 75.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.782 -0.645 . . . . 0.68 110.455 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -69.96 -33.13 71.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.031 -0.359 . . . . 0.73 110.031 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -65.39 -38.59 90.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.82 110.431 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.65 -34.63 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.872 -0.604 . . . . 0.83 110.813 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.78 -24.47 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.85 110.683 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -57.58 107.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.711 -0.677 . . . . 2.87 110.452 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.4 48.66 16.5 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.262 0.553 . . . . 4.72 110.745 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -79.21 82.8 5.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 6.2 109.74 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -104.19 126.87 51.65 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.753 -0.658 . . . . 5.63 110.012 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.805 -0.617 . . . . 8.42 110.437 -178.277 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.0 t80 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.4 -0.222 . . . . 6.65 110.4 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 67.65 113.69 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.272 0.629 . . . . 7.35 110.913 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.3 p -69.16 115.68 8.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.746 -0.661 . . . . 4.13 111.036 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.9 tp -85.14 78.95 9.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.383 0.611 . . . . 4.92 109.644 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 8' ' ' GLU . 59.9 mtp180 -83.85 2.29 39.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.599 -0.728 . . . . 6.65 111.714 -175.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.67 -49.43 78.7 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.553 -0.832 . . . . 1.05 111.728 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.64 -16.74 61.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.679 0.276 . . . . 2.28 111.049 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 5' ' ' ARG . 24.5 tt0 -62.54 -34.3 76.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 1.95 109.824 176.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -64.65 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 1.19 110.506 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.89 -40.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.992 -0.549 . . . . 0.35 109.554 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.93 -45.63 81.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.366 -0.834 . . . . 0.67 110.395 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 p -69.92 -40.83 75.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.16 111.492 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.51 -42.15 92.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.845 -0.428 . . . . 0.23 109.845 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.29 -40.99 96.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.34 109.65 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 74.4 ttt180 -61.55 -40.2 93.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.376 -0.829 . . . . 1.14 110.635 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -70.04 -33.4 71.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.361 -0.382 . . . . 0.68 110.672 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -70.82 -33.18 70.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.227 -0.286 . . . . 0.73 110.227 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -63.68 -41.91 98.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.82 110.274 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' HD21 ' A' ' 23' ' ' LEU . 82.9 mt -76.93 -15.5 59.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 0.83 111.346 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.53 -1.59 40.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.344 0.592 . . . . 1.85 109.929 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -115.64 150.27 36.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.872 -0.604 . . . . 2.87 110.162 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 58.05 50.6 9.87 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.656 0.741 . . . . 4.72 110.294 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 19' ' ' LEU . 95.9 mt -82.74 56.4 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.446 0.641 . . . . 6.2 110.434 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -92.7 66.15 4.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.401 -0.818 . . . . 5.63 109.554 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.793 -0.623 . . . . 8.42 110.423 -175.697 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.036 0.446 . . . . 6.65 110.607 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.89 66.14 5.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.399 0.619 . . . . 7.35 109.533 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p -68.08 115.51 7.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.333 -0.849 . . . . 4.13 111.113 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.64 96.0 6.74 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.455 -0.572 . . . . 4.92 109.455 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -106.41 40.67 1.57 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.87 -0.604 . . . . 6.65 110.095 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.34 -47.92 15.78 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.584 -0.735 . . . . 1.05 111.692 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -68.77 -19.28 64.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 2.28 110.482 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -58.74 -34.1 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.665 -0.698 . . . . 1.95 110.423 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -69.16 -39.54 78.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.947 -0.57 . . . . 1.19 110.411 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.14 -33.27 59.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 0.35 109.604 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.0 -47.26 81.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.67 110.127 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 p -73.55 -40.31 64.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.16 111.282 -176.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.55 -40.2 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.988 -0.285 . . . . 0.23 110.407 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.2 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.988 -0.375 . . . . 0.34 109.988 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -60.91 -35.97 78.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.147 0.498 . . . . 1.14 110.047 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -69.45 -37.95 77.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 0.68 110.341 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -67.48 -30.1 69.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.73 110.275 178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -62.09 -43.69 98.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.86 -0.609 . . . . 0.82 109.996 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.68 -43.64 58.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.644 -0.707 . . . . 0.83 110.434 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 1.85 110.893 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -74.94 -59.53 2.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 2.87 110.997 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -123.96 69.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.163 0.431 . . . . 4.72 112.163 -172.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 tp -138.04 45.42 2.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.54 0.686 . . . . 6.2 109.268 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -117.85 150.01 39.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.398 -0.819 . . . . 5.63 110.067 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.666 -0.683 . . . . 8.42 109.814 178.49 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.9 t80 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.531 -0.544 . . . . 6.65 109.531 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -109.63 125.89 53.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.074 0.464 . . . . 7.35 110.298 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -82.91 140.85 32.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.068 -0.515 . . . . 4.13 110.802 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -134.88 102.92 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.259 -0.428 . . . . 4.92 110.456 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 5' ' ' ARG . 42.0 mtt85 -82.11 -33.56 29.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 6.65 110.611 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.6 -35.12 2.73 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.276 -0.73 . . . . 1.05 111.276 -174.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -26.08 68.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.321 . . . . 2.28 111.807 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -60.18 -31.05 69.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.371 -0.377 . . . . 1.95 110.697 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -65.79 -36.94 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.003 0.43 . . . . 1.19 110.628 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.45 -35.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.321 0.582 . . . . 0.35 109.479 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.53 -46.05 67.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.67 110.35 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 p -69.2 -32.75 72.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.16 111.042 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.71 -37.33 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.096 0.474 . . . . 0.23 109.851 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.36 -38.48 91.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.5 . . . . 0.34 109.857 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -63.27 -32.12 73.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 1.14 110.127 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.87 -32.08 73.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.68 110.229 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -69.75 -27.89 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.931 -0.396 . . . . 0.73 109.931 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -65.83 -45.27 82.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.51 . . . . 0.82 110.221 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.4 mt -74.09 -31.97 63.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.799 -0.637 . . . . 0.83 110.539 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 tp -72.96 -14.28 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.658 -0.701 . . . . 1.85 110.443 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 3.6 ttmp? -94.19 66.81 3.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.487 0.66 . . . . 2.87 109.791 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.97 145.97 24.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.39 -0.823 . . . . 4.72 109.48 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp 67.48 90.4 0.09 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.539 0.524 . . . . 6.2 110.565 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 73.03 159.37 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.063 -0.972 . . . . 5.63 111.733 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.5 -0.773 . . . . 8.42 109.533 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.315 -0.254 . . . . 6.65 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -146.65 111.84 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 7.35 110.282 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -121.63 107.88 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.129 -0.487 . . . . 4.13 111.402 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.6 tp -89.02 87.97 7.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.652 0.739 . . . . 4.92 110.11 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -95.94 -13.41 23.89 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 6.65 110.167 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.92 -38.98 3.03 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.596 -0.729 . . . . 1.05 112.422 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -67.9 -33.81 75.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.122 0.416 . . . . 2.28 112.122 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.82 -32.59 74.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.715 -0.394 . . . . 1.95 110.568 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -64.89 -43.05 94.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.364 . . . . 1.19 110.074 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.74 -42.25 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.2 -0.454 . . . . 0.35 109.918 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.4 -47.55 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.812 -0.631 . . . . 0.67 110.68 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 17.2 p -71.46 -39.13 71.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.16 111.401 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.79 -40.16 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.796 0.331 . . . . 0.23 110.55 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.03 -36.11 82.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.483 -0.562 . . . . 0.34 109.483 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.7 ttt180 -60.64 -35.86 77.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 1.14 110.287 174.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.25 -33.7 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.68 110.369 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.68 -34.14 62.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.73 110.393 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -65.91 -36.53 83.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.24 0.543 . . . . 0.82 110.271 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 83.2 mt -81.96 -0.4 43.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.265 0.555 . . . . 0.83 110.428 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -119.89 30.29 7.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.675 -0.693 . . . . 1.85 109.315 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -80.82 52.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.816 -0.629 . . . . 2.87 110.786 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -60.67 112.53 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 4.72 110.488 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.6 tp -111.57 96.92 6.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.008 0.432 . . . . 6.2 110.199 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.04 65.71 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.539 . . . . 5.63 110.042 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.638 -0.696 . . . . 8.42 110.631 -177.176 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.7 t80 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.392 -0.225 . . . . 6.65 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 67.82 117.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.658 0.599 . . . . 7.35 110.999 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -79.28 64.86 4.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.088 0.47 . . . . 4.13 110.959 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.9 tp -77.11 109.61 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 4.92 110.305 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -102.54 -1.78 29.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.133 -0.485 . . . . 6.65 111.729 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.46 45.61 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.987 -0.625 . . . . 1.05 112.213 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -73.45 -26.36 60.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 2.28 110.38 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.51 -35.92 82.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.547 -0.751 . . . . 1.95 110.38 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -61.17 -39.99 92.19 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.07 -0.514 . . . . 1.19 110.327 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.54 -41.74 93.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.87 -0.604 . . . . 0.35 109.676 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.65 -46.66 87.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 0.67 110.529 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 p -73.03 -40.08 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.341 . . . . 0.16 111.559 -175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.9 -43.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 0.23 110.07 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.8 -35.5 80.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.34 110.19 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 47.5 ttt180 -65.48 -38.08 88.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.14 110.197 176.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -64.16 -36.46 84.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.461 . . . . 0.68 110.078 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -72.76 -27.73 62.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.73 110.477 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -69.22 -43.81 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.968 0.413 . . . . 0.82 110.043 173.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.0 mt -67.96 -33.22 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.83 110.985 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.11 9.84 34.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 1.85 111.512 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -68.2 -52.27 36.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.778 0.323 . . . . 2.87 110.796 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -86.56 64.63 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.189 0.518 . . . . 4.72 110.322 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -107.85 68.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.667 -0.697 . . . . 6.2 109.479 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -104.22 132.0 50.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 5.63 110.789 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.472 -0.775 . . . . 8.42 110.868 -177.199 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 119.874 -0.107 . . . . 6.65 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 49.36 60.38 3.81 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.03 0.443 . . . . 7.35 111.943 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -119.46 93.12 3.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.146 -0.479 . . . . 4.13 110.795 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.8 tp -78.67 92.35 4.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.273 0.559 . . . . 4.92 110.021 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' O ' ' HB3' ' A' ' 8' ' ' GLU . 80.7 mtp180 -91.05 10.57 26.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.996 -0.547 . . . . 6.65 111.201 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.89 -45.4 96.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.053 -0.594 . . . . 1.05 112.069 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.37 -21.19 59.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.815 0.34 . . . . 2.28 110.802 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 5' ' ' ARG . 34.4 tt0 -65.18 -32.56 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 1.95 110.093 175.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -61.87 -40.68 96.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.881 -0.599 . . . . 1.19 109.869 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.71 -36.58 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.35 109.783 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 11' ' ' LEU . 7.9 tt -60.76 -48.31 82.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.415 -0.811 . . . . 0.67 110.463 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 p -75.64 -33.53 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.477 -0.329 . . . . 0.16 111.174 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.6 -40.14 79.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.61 0.243 . . . . 0.23 110.553 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.16 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.184 0.516 . . . . 0.34 109.837 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -60.07 -34.52 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.292 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.48 -32.56 64.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.551 . . . . 0.68 110.696 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.98 -31.89 71.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.73 110.029 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -60.41 -41.31 93.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.259 0.552 . . . . 0.82 110.333 174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.85 -27.92 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 0.83 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -83.23 -36.68 24.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 1.85 110.95 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -65.34 131.66 47.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 2.87 110.481 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.37 75.44 7.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.071 0.462 . . . . 4.72 110.211 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.38 84.18 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.992 -0.549 . . . . 6.2 109.754 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -115.41 126.58 54.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.762 -0.653 . . . . 5.63 110.334 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.538 -0.744 . . . . 8.42 110.542 -179.818 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.649 -0.13 . . . . 6.65 110.649 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 70.19 126.44 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.565 0.54 . . . . 7.35 111.037 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 p -86.65 78.14 9.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.321 0.581 . . . . 4.13 110.67 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -86.79 88.79 7.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.885 -0.598 . . . . 4.92 109.878 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 61.8 mtp180 -107.4 15.79 24.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.45 -0.795 . . . . 6.65 111.71 -175.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.84 81.12 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.99 -0.624 . . . . 1.05 112.417 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -75.69 -29.85 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.93 0.395 . . . . 2.28 110.396 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.26 -33.17 75.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 1.95 110.57 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 25.1 mmm180 -65.96 -38.65 89.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 1.19 110.378 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.11 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.35 109.865 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.92 -50.64 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.914 -0.585 . . . . 0.67 110.28 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -36.72 78.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.389 -0.368 . . . . 0.16 111.66 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.3 mt -69.87 -36.68 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.857 0.36 . . . . 0.23 110.118 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.44 -38.73 90.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.725 -0.472 . . . . 0.34 109.725 174.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.79 -36.0 79.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 1.14 110.395 175.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -68.07 -27.28 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.68 110.476 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -77.42 -32.92 54.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.449 . . . . 0.73 110.122 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.61 -35.47 77.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.82 110.287 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.56 -20.37 59.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.83 110.974 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -73.52 -24.05 60.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 1.85 110.137 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -97.18 177.5 5.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 2.87 110.338 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 59.19 36.53 23.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.758 0.79 . . . . 4.72 110.461 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.7 mt -100.03 10.59 41.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.525 -0.761 . . . . 6.2 110.246 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 72.18 169.6 0.32 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.034 0.834 . . . . 5.63 111.342 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.513 -0.755 . . . . 8.42 110.452 -177.599 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.901 -0.407 . . . . 6.65 109.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -96.6 123.23 40.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.02 0.438 . . . . 7.35 110.217 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.8 p -76.89 99.43 5.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.216 -0.447 . . . . 4.13 111.337 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 tp -75.67 85.37 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 4.92 109.993 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -100.6 -20.64 15.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.875 -1.057 . . . . 6.65 111.059 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.72 -25.27 28.73 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.572 -0.823 . . . . 1.05 111.613 -176.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -60.08 -33.57 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 2.28 111.219 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.01 -26.06 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 1.95 110.675 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -67.22 -40.11 86.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 1.19 110.164 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.99 -42.41 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.473 -0.566 . . . . 0.35 109.473 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.0 -51.35 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.67 110.187 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 p -68.43 -39.19 81.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.5 -0.318 . . . . 0.16 111.827 -174.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 70.4 mt -66.42 -45.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.742 -0.383 . . . . 0.23 110.355 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.18 -36.19 83.26 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.799 -0.445 . . . . 0.34 109.799 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.06 -37.94 89.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 1.14 110.38 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 46.6 m170 -67.69 -38.13 83.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.08 -0.509 . . . . 0.68 110.353 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 77.6 mm-40 -69.57 -30.28 68.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.73 110.064 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -62.56 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.01 -0.541 . . . . 0.82 110.048 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.61 -26.21 62.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.83 110.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 16' ' ' HIS . 84.7 mt -76.92 -27.53 54.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 1.85 110.525 176.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -81.33 76.82 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.327 0.585 . . . . 2.87 110.378 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.98 58.74 5.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.853 0.835 . . . . 4.72 108.844 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -127.75 96.63 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.979 -1.009 . . . . 6.2 110.397 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -135.77 154.83 51.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.072 -0.513 . . . . 5.63 109.732 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 118.809 -0.615 . . . . 8.42 110.226 -177.731 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.785 -0.45 . . . . 6.65 109.785 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -108.75 77.76 1.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.152 0.501 . . . . 7.35 110.153 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -96.25 100.43 12.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.806 -0.634 . . . . 4.13 111.092 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.14 76.1 9.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.439 0.638 . . . . 4.92 110.07 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 5' ' ' ARG . 19.7 mtm180 -90.2 -19.09 24.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.414 -0.812 . . . . 6.65 110.275 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.69 -53.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.755 -0.657 . . . . 1.05 112.311 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.25 -25.25 65.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.0 -31.33 69.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.985 0.421 . . . . 1.95 110.571 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -71.97 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.19 110.049 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.93 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.196 0.522 . . . . 0.35 109.689 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.19 -52.9 63.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.67 109.942 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -69.34 -37.66 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.292 -0.413 . . . . 0.16 111.727 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.43 -44.32 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 121.097 -0.241 . . . . 0.23 110.546 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.31 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.34 109.843 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.478 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 77.2 ttt180 -59.87 -39.2 84.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 1.14 110.327 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -72.29 -38.61 68.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.283 -0.417 . . . . 0.68 110.895 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -72.7 -27.98 62.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.748 0.309 . . . . 0.73 110.847 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -67.86 -40.57 83.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.097 0.475 . . . . 0.82 110.09 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 15' ' ' ARG . 85.8 mt -77.6 -28.54 51.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 0.83 110.955 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.92 -42.89 69.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.334 -0.394 . . . . 1.85 110.017 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -56.51 132.47 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.911 -0.586 . . . . 2.87 110.669 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -110.47 134.0 52.76 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.318 -0.623 . . . . 4.72 109.318 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.87 86.32 7.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.303 -0.408 . . . . 6.2 110.035 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -93.88 146.55 23.82 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.364 -0.38 . . . . 5.63 110.724 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.18 -0.915 . . . . 8.42 109.708 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.0 p90 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.832 0.349 . . . . 6.65 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -83.46 121.81 27.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 7.35 110.469 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 p -142.37 147.34 36.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.156 -0.475 . . . . 4.13 110.289 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -80.64 82.64 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.722 . . . . 4.92 110.114 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -85.76 3.9 39.26 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.085 -0.961 . . . . 6.65 111.382 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.13 -45.72 95.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.892 -0.671 . . . . 1.05 111.993 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.06 -20.07 49.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 2.28 110.533 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -62.11 -34.65 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.95 110.003 175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -59.95 -37.13 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.788 -0.642 . . . . 1.19 110.505 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.66 -43.52 80.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.723 -0.671 . . . . 0.35 109.76 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -45.86 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.67 110.48 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.7 p -69.15 -40.2 78.34 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.647 0.26 . . . . 0.16 111.325 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.06 -41.47 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.412 . . . . 0.23 110.037 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -36.53 83.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.963 -0.562 . . . . 0.34 110.193 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -59.8 -38.47 82.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.167 0.508 . . . . 1.14 110.075 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -70.0 -31.14 68.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.788 -0.642 . . . . 0.68 110.247 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -74.04 -34.59 64.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.236 -0.438 . . . . 0.73 110.149 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -67.83 -31.98 72.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 0.82 110.559 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.1 -27.01 35.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.121 -0.49 . . . . 0.83 110.84 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp -79.26 -7.81 58.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.282 0.563 . . . . 1.85 110.559 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -75.74 109.28 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.952 -0.567 . . . . 2.87 109.824 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.08 45.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 4.72 110.655 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -139.22 94.64 2.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.434 -0.803 . . . . 6.2 109.684 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -113.05 179.38 3.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.014 -0.539 . . . . 5.63 110.442 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.481 -0.771 . . . . 8.42 109.68 178.378 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.1 p90 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.87 -0.419 . . . . 6.65 109.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -69.66 82.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 7.35 111.365 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.2 p -77.9 122.09 25.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 4.13 110.173 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.2 tp -78.35 91.09 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.263 0.554 . . . . 4.92 109.979 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -112.26 35.78 3.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.673 -0.694 . . . . 6.65 111.052 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.48 -54.57 5.01 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.875 -0.679 . . . . 1.05 111.779 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.89 -12.76 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.046 0.451 . . . . 2.28 110.51 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.27 -29.49 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.818 -0.628 . . . . 1.95 109.787 173.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -64.58 -40.24 95.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.98 -0.554 . . . . 1.19 110.48 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.7 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.849 -0.614 . . . . 0.35 109.705 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.656 -0.702 . . . . 0.67 110.562 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 p -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.395 -0.366 . . . . 0.16 111.599 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 86.8 mt -67.65 -41.86 85.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.783 -0.367 . . . . 0.23 110.024 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.81 -34.9 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.419 -0.355 . . . . 0.34 110.076 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.45 -40.12 95.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.748 -0.464 . . . . 1.14 109.748 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -69.46 -28.96 66.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.879 -0.601 . . . . 0.68 110.537 177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 13' ' ' ILE . 31.7 mm-40 -75.27 -36.98 61.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.73 110.088 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -68.17 -39.71 82.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.042 0.448 . . . . 0.82 110.111 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.2 20.66 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.779 -0.646 . . . . 0.83 110.891 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.5 tp -135.81 -49.69 0.7 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.892 -0.594 . . . . 1.85 110.039 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -60.15 -43.35 95.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.239 -0.891 . . . . 2.87 111.054 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -146.31 105.19 3.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.446 -0.343 . . . . 4.72 110.218 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 tp -141.3 69.27 1.33 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.324 0.583 . . . . 6.2 109.98 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.73 123.04 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.675 -0.693 . . . . 5.63 109.808 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.605 -0.712 . . . . 8.42 110.906 -179.055 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.4 p90 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.783 0.325 . . . . 6.65 110.159 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.53 138.88 33.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.896 0.379 . . . . 7.35 110.308 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.2 p -91.04 128.53 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.947 -0.569 . . . . 4.13 110.156 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.1 tp -83.24 85.45 7.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.381 0.61 . . . . 4.92 109.701 177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -86.74 -3.79 59.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.469 -0.787 . . . . 6.65 111.601 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.06 -59.63 4.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 1.05 113.604 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.84 -16.08 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.968 0.384 . . . . 2.28 111.352 -174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.44 -29.25 70.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.016 -0.538 . . . . 1.95 110.368 174.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.27 -38.31 88.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.109 -0.496 . . . . 1.19 110.466 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.53 -32.95 60.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.321 0.581 . . . . 0.35 109.925 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.77 -49.0 57.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.285 -0.87 . . . . 0.67 110.194 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 p -71.22 -36.17 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.463 -0.335 . . . . 0.16 110.959 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.17 -34.2 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.781 0.324 . . . . 0.23 110.342 175.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.64 -42.23 96.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.166 0.508 . . . . 0.34 109.706 173.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.62 -32.35 73.8 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.858 -0.61 . . . . 1.14 110.239 177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -70.63 -32.49 69.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.68 110.624 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -69.05 -35.17 76.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.042 0.448 . . . . 0.73 109.846 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -62.77 -41.04 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.82 110.245 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.02 3.87 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.899 -0.591 . . . . 0.83 111.005 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.6 tp -105.56 1.13 27.18 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.168 -0.678 . . . . 1.85 109.168 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -105.76 100.2 9.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.364 -0.834 . . . . 2.87 110.237 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -87.23 53.59 2.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.054 0.454 . . . . 4.72 110.624 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.8 mt -111.29 84.24 1.91 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.134 0.492 . . . . 6.2 109.951 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -123.89 40.3 3.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.667 -0.697 . . . . 5.63 110.428 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.64 -0.695 . . . . 8.42 110.415 -179.276 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.165 -0.309 . . . . 6.65 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -137.1 77.7 1.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.486 0.66 . . . . 7.35 110.498 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -112.58 60.9 0.63 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.972 -0.558 . . . . 4.13 111.291 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.1 tp -69.72 89.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.377 0.608 . . . . 4.92 110.696 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -107.64 32.39 4.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 6.65 111.11 -178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.23 -56.71 4.99 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.082 -0.58 . . . . 1.05 112.884 178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.56 -16.3 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 2.28 111.985 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.43 -29.72 67.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 1.95 110.468 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.68 -42.61 95.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 1.19 110.557 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.88 -43.9 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.704 -0.48 . . . . 0.35 109.704 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.1 -44.35 97.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.67 110.527 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 p -72.83 -36.22 67.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.554 -0.294 . . . . 0.16 111.491 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.78 -39.91 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.23 109.945 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.96 -34.72 78.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.037 -0.528 . . . . 0.34 110.186 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -65.41 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.97 0.414 . . . . 1.14 110.209 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -66.05 -27.97 68.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.275 -0.42 . . . . 0.68 110.082 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.82 -31.38 64.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.968 -0.56 . . . . 0.73 110.121 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -66.66 -34.72 78.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.952 0.406 . . . . 0.82 110.184 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.29 -13.08 60.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.83 110.914 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp -91.44 -16.11 27.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.324 0.583 . . . . 1.85 109.958 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -89.57 103.19 15.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.449 -0.796 . . . . 2.87 110.315 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.26 -39.02 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 4.72 110.668 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.3 tp -72.21 109.01 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 6.2 110.345 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -126.05 173.04 9.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.077 -0.511 . . . . 5.63 109.661 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.502 -0.761 . . . . 8.42 110.077 -179.991 . . . . . . . . 0 0 . 1 stop_ save_